-ISIS- 10201511232D 40 43 0 0 0 0 0 0 0 0999 V2000 5.8792 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -6.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 -5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2000 -6.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9708 -5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9708 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2000 -4.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2000 -6.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7417 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5167 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2875 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5167 -5.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1083 -4.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3333 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -3.3625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4250 -2.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 -2.0208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6542 -1.5750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8792 -2.0208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8792 -2.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1083 -1.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1958 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1083 -3.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3333 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 -3.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3333 -2.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -3.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2458 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4708 -3.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4708 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2458 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -4.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1958 -0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 3 16 1 0 0 0 0 1 17 1 0 0 0 0 17 18 1 0 0 0 0 19 6 1 1 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 23 25 1 1 0 0 0 21 26 1 1 0 0 0 22 27 1 6 0 0 0 24 28 1 6 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 30 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 33 1 0 0 0 0 36 39 1 0 0 0 0 26 40 1 0 0 0 0 M END > CFN90716 > 7-O-Methylaloeresin A > 329361-25-3 > 98% > C29H30O11 > 554.54 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/7-O-Methylaloeresin-A-CFN90716.html $$$$ -ISIS- 10201511232D 24 27 0 0 0 0 0 0 0 0999 V2000 4.1125 -5.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 -6.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8958 -7.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -6.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -5.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8958 -5.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -7.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2458 -6.6042 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2458 -5.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -5.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -7.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2458 -8.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0292 -7.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0292 -7.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2458 -9.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0292 -9.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8125 -9.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8125 -8.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5958 -7.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3792 -8.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5958 -9.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3792 -9.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -5.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -7.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 8 1 0 0 0 0 12 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 17 21 1 0 0 0 0 21 22 1 0 0 0 0 1 23 1 0 0 0 0 2 24 1 0 0 0 0 M CHG 1 8 1 M END > CFN90696 > Demethyleneberberine > 25459-91-0 > 98% > C19H18NO4 > 324.35 > Yellow powder > Alkaloids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Demethyleneberberine-CFN90696.html $$$$ -ISIS- 10201511232D 32 34 0 0 0 0 0 0 0 0999 V2000 8.2167 -5.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 -6.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0208 -6.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8250 -6.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8250 -5.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0208 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6125 -5.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -6.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6125 -7.3125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8083 -6.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -7.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0000 -8.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8083 -8.7042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6125 -8.2417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8083 -9.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -6.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -8.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -8.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -4.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6292 -6.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4333 -6.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -5.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -5.4500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3917 -4.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -4.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 -4.5208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7833 -5.4500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5875 -5.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5875 -6.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -5.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -4.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 2 9 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 10 1 0 0 0 0 10 9 1 1 0 0 0 14 16 1 1 0 0 0 12 17 1 1 0 0 0 15 18 1 6 0 0 0 13 19 1 6 0 0 0 7 20 2 0 0 0 0 4 21 1 0 0 0 0 21 22 1 0 0 0 0 17 23 1 0 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 29 30 1 6 0 0 0 28 31 1 1 0 0 0 27 32 1 1 0 0 0 M END > CFN90668 > Paeonolide > 72520-92-4 > 98% > C20H28O12 > 460.43 > Powder > Phenols > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Paeonolide-CFN90668.html $$$$ -ISIS- 10201511232D 33 36 0 0 0 0 0 0 0 0999 V2000 4.1208 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1208 -6.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8708 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6208 -6.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6208 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8708 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3708 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1208 -6.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1208 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3708 -5.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3708 -8.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6292 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3792 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3792 -4.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6292 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -4.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1292 -4.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3708 -5.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8708 -8.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3708 -7.2542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6208 -6.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8708 -7.2542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8708 -8.1208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6208 -8.5583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3708 -8.1208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6208 -9.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1208 -6.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1208 -8.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1208 -8.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3708 -7.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -4.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1250 -5.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 11 1 0 0 0 0 15 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 21 2 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 25 27 1 1 0 0 0 23 28 1 1 0 0 0 24 29 1 6 0 0 0 26 30 1 6 0 0 0 28 31 1 0 0 0 0 19 32 1 0 0 0 0 14 33 1 0 0 0 0 M END > CFN90652 > Swertiajaponin > 6980-25-2 > 98% > C22H22O11 > 462.4 > Yellow powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Swertiajaponin-CFN90652.html $$$$ -ISIS- 10201511232D 63 69 0 0 0 0 0 0 0 0999 V2000 2.8750 -7.6750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8750 -8.5750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6542 -9.0292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4375 -8.5750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4375 -7.6750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6542 -7.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -7.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -9.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -7.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -9.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -9.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4417 -9.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 -8.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0042 -9.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0042 -9.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 -10.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4417 -9.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 -7.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4417 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4417 -6.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 -5.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0042 -6.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0042 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 -4.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7875 -5.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7875 -7.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7875 -8.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7875 -10.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 -11.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -7.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6833 -9.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -7.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -8.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -10.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -7.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7833 -9.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 -7.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7833 -7.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3500 -7.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7833 -9.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3500 -9.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1333 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3500 -9.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1333 -7.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9167 -7.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6958 -7.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4792 -7.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4792 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6958 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9167 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 -10.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 -11.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -9.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -11.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -12.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 -13.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -12.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -11.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 -13.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -13.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -13.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 1 7 1 1 0 0 0 3 8 1 1 0 0 0 5 9 1 1 0 0 0 2 10 1 6 0 0 0 4 11 1 6 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 13 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 18 1 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 19 30 1 0 0 0 0 12 31 1 0 0 0 0 7 32 1 0 0 0 0 30 32 1 0 0 0 0 30 33 2 0 0 0 0 31 10 1 0 0 0 0 31 34 2 0 0 0 0 9 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 35 1 0 0 0 0 39 41 1 0 0 0 0 37 42 1 0 0 0 0 38 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 2 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 47 1 0 0 0 0 8 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 2 0 0 0 0 54 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 60 54 1 0 0 0 0 58 61 1 0 0 0 0 57 62 1 0 0 0 0 59 63 1 0 0 0 0 M END > CFN90633 > Thonningianin A > 271579-11-4 > 98% > C42H34O21 > 874.7 > Powder > Chalcones > Pyridine, DMSO, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Thonningianin-A-CFN90633.html $$$$ -ISIS- 10201511232D 23 26 0 0 0 0 0 0 0 0999 V2000 3.6917 -10.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -11.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4708 -11.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -11.1750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.2500 -10.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4708 -9.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0292 -11.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8083 -11.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8083 -10.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -9.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0292 -8.9250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2500 -8.4750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4708 -8.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8083 -8.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8083 -7.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -7.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -7.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4708 -7.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4708 -10.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -9.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -10.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -8.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -12.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 6 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 17 18 2 0 0 0 0 6 19 1 1 0 0 0 5 20 1 6 0 0 0 10 21 1 6 0 0 0 11 22 1 1 0 0 0 4 23 2 0 0 0 0 M END > CFN90290 > Oxysophoridine > 54809-74-4 > 98% > C15H24N2O2 > 264.36 > Powder > Alkaloids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Oxysophoridine-CFN90290.html $$$$ -ISIS- 10201511232D 32 35 0 0 0 0 0 0 0 0999 V2000 6.5875 -7.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 -8.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3708 -8.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1625 -8.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1625 -7.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3708 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9542 -8.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7375 -8.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7375 -7.3375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9542 -6.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9542 -9.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3708 -9.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7958 -6.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0083 -7.3375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5292 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3125 -7.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1042 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1042 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3125 -5.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5292 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8875 -5.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -6.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4333 -7.3375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4333 -8.2458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2167 -8.7042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0083 -8.2458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6417 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -9.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7958 -8.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -8.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8583 -7.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8875 -7.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 3 12 1 0 0 0 0 1 13 1 0 0 0 0 14 13 1 1 0 0 0 9 15 1 6 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 18 21 1 0 0 0 0 14 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 14 1 0 0 0 0 23 27 1 1 0 0 0 25 28 1 1 0 0 0 26 29 1 6 0 0 0 24 30 1 6 0 0 0 27 31 1 0 0 0 0 17 32 1 0 0 0 0 M END > CFN97865 > Eriodictyol-7-O-glucoside > 38965-51-4 > 98% > C21H22O11 > 450.39 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Eriodictyol-7-O-glucoside-CFN97865.html $$$$ -ISIS- 10201511232D 45 49 0 0 0 0 0 0 0 0999 V2000 4.4958 -4.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4958 -5.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 -5.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 -4.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -5.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -4.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -3.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4958 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2833 -4.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0875 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0875 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2833 -2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4958 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8875 -2.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -6.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -6.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -3.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4958 -5.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4958 -6.5917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6917 -7.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -7.9792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4958 -8.4417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2833 -7.9792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2833 -7.0542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0875 -6.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0875 -8.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4958 -9.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -8.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1208 -7.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -8.4333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5292 -7.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -8.4333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7250 -9.3500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5292 -9.8125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3250 -9.3500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9250 -9.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1208 -9.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -10.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -7.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2833 -1.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6917 -2.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 -4.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 7 18 2 0 0 0 0 3 19 1 0 0 0 0 1 20 1 0 0 0 0 8 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 6 0 0 0 22 21 1 1 0 0 0 26 29 1 1 0 0 0 24 31 1 1 0 0 0 25 30 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 33 32 1 1 0 0 0 36 39 1 1 0 0 0 38 40 1 6 0 0 0 37 41 1 6 0 0 0 35 42 1 6 0 0 0 31 32 1 0 0 0 0 15 43 1 0 0 0 0 17 44 1 0 0 0 0 20 45 1 0 0 0 0 M END > CFN92808 > Ombuoside > 20188-85-6 > 98% > C29H34O16 > 638.6 > Yellow powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Ombuoside-CFN92808.html $$$$ -ISIS- 10201511232D 22 24 0 0 0 0 0 0 0 0999 V2000 3.7042 -6.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -7.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5083 -7.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -7.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -6.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5083 -5.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -7.7542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9167 -7.2917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9167 -6.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -5.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -8.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -5.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 -7.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5167 -7.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3167 -7.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1208 -7.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1208 -6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3167 -5.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5167 -6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9250 -5.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7208 -6.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9167 -9.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 1 6 0 0 0 1 12 1 0 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 17 20 1 0 0 0 0 8 21 1 1 0 0 0 11 22 1 0 0 0 0 M END > CFN92771 > 3'-Deoxy-4-O-methylepisappanol > 1052714-12-1 > 98% > C17H18O5 > 302.3 > Powder > Flavonoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/3-Deoxy-4-O-methylepisappanol-CFN92771.html $$$$ -ISIS- 10201511232D 18 20 0 0 0 0 0 0 0 0999 V2000 6.2958 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2958 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1083 -6.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1083 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7208 -6.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5292 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5292 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7208 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3417 -6.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -6.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6833 -6.3667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6833 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -6.8333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8750 -7.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0708 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0708 -7.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 2 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 1 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 M END > CFN92712 > Marmesin > 13710-70-8 > 98% > C14H14O4 > 246.3 > Powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Marmesin-CFN92712.html $$$$ -ISIS- 10201511232D 23 24 0 0 0 0 0 0 0 0999 V2000 4.4417 -7.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -8.5125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0333 -8.0500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0333 -7.1333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2375 -6.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 -7.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -6.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 -6.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 -5.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -9.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0333 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6958 -9.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2125 -5.2958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2125 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0083 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 -4.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -8.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 -8.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 -8.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 20 1 0 0 0 0 7 8 2 0 0 0 0 8 5 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 8 1 0 0 0 0 3 13 1 1 0 0 0 5 14 1 1 0 0 0 3 15 1 6 0 0 0 10 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 11 19 1 0 0 0 0 7 22 1 0 0 0 0 1 2 1 0 0 0 0 20 21 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 22 23 2 0 0 0 0 G 20 4 CHO G 22 7 CHO M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 2 20 21 M SBL 1 1 4 M SMT 1 CHO M SBV 1 4 -0.7900 0.4600 M SAL 2 2 22 23 M SBL 2 1 19 M SMT 2 CHO M SBV 2 19 0.0000 0.9200 M END > CFN92677 > Benzaldehyde > 1072444-55-3 > 98% > C20H28O3 > 316.4 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Benzaldehyde-CFN92677.html $$$$ -ISIS- 10201511232D 14 14 0 0 0 0 0 0 0 0999 V2000 4.5417 -7.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -8.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -8.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 -8.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 -7.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -6.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9333 -6.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -7.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5250 -6.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3250 -7.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5250 -5.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -8.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -6.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9458 -7.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 7 2 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 9 11 2 0 0 0 0 2 12 1 0 0 0 0 1 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > CFN92394 > Trans-Ferulic acid > 537-98-4 > 98% > C10H10O4 > 194.2 > Powder > Phenylpropanoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Trans-Ferulic-acid-CFN92394.html $$$$ -ISIS- 10201511232D 25 27 0 0 0 0 0 0 0 0999 V2000 0.7125 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -4.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4958 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -4.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4958 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8458 -4.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8458 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -3.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1958 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1958 -2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 -2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -6.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4958 -6.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -5.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -2.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -4.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 -3.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4958 -2.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 8 19 1 0 0 0 0 14 20 1 0 0 0 0 13 21 1 0 0 0 0 1 22 1 0 0 0 0 6 23 1 0 0 0 0 23 24 1 0 0 0 0 21 25 1 0 0 0 0 M END > CFN92385 > Limocitrin > 489-33-8 > 98% > C17H14O8 > 346.3 > Yellow powder > Flavonoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Limocitrin-CFN92385.html $$$$ -ISIS- 10201511232D 34 38 0 0 0 0 0 0 0 0999 V2000 0.9792 -6.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -7.5917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7542 -8.0375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5292 -7.5917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5292 -6.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7542 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -8.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -7.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -6.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3042 -6.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8542 -6.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8542 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -6.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -5.3542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6292 -4.9042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2042 -8.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3083 -8.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1833 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -8.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1833 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1833 -4.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -3.5625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6292 -4.0125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5292 -8.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -7.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -5.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -3.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 4 30 1 6 0 0 0 10 31 1 6 0 0 0 28 32 1 6 0 0 0 18 33 1 1 0 0 0 29 34 1 1 0 0 0 M END > CFN92377 > alpha-Amyrin > 638-95-9 > 98% > C30H50O > 426.7 > Cryst. > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/alpha-Amyrin-CFN92377.html $$$$ -ISIS- 10201511232D 29 31 0 0 0 0 0 0 0 0999 V2000 7.1833 -3.3042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1833 -4.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9917 -4.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8083 -4.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8083 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -3.0167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7375 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1833 -2.3667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1833 -5.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8083 -1.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1833 -1.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -5.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -6.1208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8000 -7.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6125 -7.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4250 -7.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4250 -6.1208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6125 -5.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2375 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6125 -8.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9875 -7.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2375 -7.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0500 -6.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -5.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0958 -5.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 2 1 0 0 0 0 6 10 1 0 0 0 0 1 11 1 1 0 0 0 2 12 1 1 0 0 0 13 10 1 0 0 0 0 10 14 2 0 0 0 0 3 15 1 1 0 0 0 16 15 1 6 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 16 1 0 0 0 0 20 22 1 6 0 0 0 18 23 1 6 0 0 0 17 24 1 1 0 0 0 19 25 1 1 0 0 0 22 26 1 0 0 0 0 9 27 1 0 0 0 0 27 28 1 0 0 0 0 7 29 1 6 0 0 0 M END > CFN92358 > Deacetylasperulosidic acid > 14259-55-3 > 98% > C16H22O11 > 390.3 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Deacetylasperulosidic-acid-CFN92358.html $$$$ -ISIS- 10201511232D 17 16 0 0 0 0 0 0 0 0999 V2000 2.3125 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2208 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0375 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9458 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8583 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6417 -5.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6417 -6.2083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4292 -4.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4292 -6.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -6.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4958 -6.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7083 -6.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 3 0 0 0 0 3 4 1 0 0 0 0 4 5 3 0 0 0 0 5 6 1 0 0 0 0 1 7 2 0 0 0 0 7 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 1 0 0 0 10 12 1 0 0 0 0 10 13 1 6 0 0 0 12 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 M END > CFN92356 > Lobetyol > 136171-87-4 > 98% > C14H18O3 > 234.3 > Powder > Miscellaneous > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Lobetyol-CFN92356.html $$$$ -ISIS- 10201511232D 24 24 0 0 0 0 0 0 0 0999 V2000 0.4250 -4.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2208 -6.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -4.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2208 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -4.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3667 -4.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3667 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3667 -6.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -4.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -3.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7792 -4.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3708 -4.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1625 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9583 -4.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7542 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5458 -4.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3417 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1375 -4.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 1 10 1 0 0 0 0 10 11 1 0 0 0 0 2 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 13 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 M END > CFN92300 > 10-Shogaol > 36752-54-2 > 98% > C21H32O3 > 332.5 > Oil > Phenols > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/10-shogaol-CFN92300.html $$$$ -ISIS- 10201511232D 21 21 0 0 0 0 0 0 0 0999 V2000 0.4250 -4.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2208 -6.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -4.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2208 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -4.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3667 -4.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3667 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3667 -6.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -4.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -3.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7792 -4.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3708 -4.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1625 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9583 -4.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 -3.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 1 10 1 0 0 0 0 10 11 1 0 0 0 0 2 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 15 21 2 0 0 0 0 M END > CFN92298 > 1-Dehydro-6-gingerdione > 76060-35-0 > 98% > C17H22O4 > 290.4 > Powder > Phenols > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/1-dehydro-6-gingerdione-CFN92298.html $$$$ -ISIS- 10201511232D 25 26 0 0 0 0 0 0 0 0999 V2000 4.6125 -4.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -5.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4833 -5.7833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3500 -5.2833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3500 -4.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4833 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -4.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -5.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -5.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0125 -3.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0125 -5.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -6.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4833 -2.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4833 -6.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3500 -7.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -7.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -8.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -6.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -6.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0833 -7.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -5.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -5.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0833 -5.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -6.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 2 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 6 14 2 0 0 0 0 3 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 1 0 0 0 16 20 1 0 0 0 0 4 23 1 6 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 2 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 G 20 16 COOH G 17 15 COOH G 23 4 COOH M STY 3 1 SUP 2 SUP 3 SUP M SLB 3 1 1 2 2 3 3 M SAL 1 3 20 21 22 M SBL 1 1 11 M SMT 1 COOH M SBV 1 11 -0.8600 -0.5000 M SAL 2 3 17 18 19 M SBL 2 1 10 M SMT 2 COOH M SBV 2 10 0.8700 0.5000 M SAL 3 3 23 24 25 M SBL 3 1 12 M SMT 3 COOH M SBV 3 12 -0.8600 0.5000 M END > CFN92293 > Chebulic acid > 23725-05-5 > 98% > C14H12O11 > 356.2 > Powder > Phenols > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Chebulic-acid-CFN92293.html $$$$ -ISIS- 10201511232D 58 63 0 0 0 0 0 0 0 0999 V2000 4.2083 -7.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2083 -8.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8917 -8.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5750 -8.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -7.4042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8917 -7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -8.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 -8.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 -7.4042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2542 -7.0125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6167 -7.0125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6167 -6.2250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9375 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -6.2250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3667 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3667 -5.9792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6083 -5.2333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6167 -5.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -7.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -8.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4958 -9.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2833 -9.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -6.6167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -5.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 -7.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3708 -5.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9292 -5.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6875 -5.4042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2458 -5.9625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.0042 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0417 -6.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8042 -6.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8917 -4.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 -6.6167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5750 -4.2542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2542 -4.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9375 -4.2542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9375 -3.4667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2542 -3.0708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5750 -3.4667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6167 -4.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2542 -2.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8917 -3.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6167 -3.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3000 -4.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -8.1917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8500 -7.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -7.0125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4875 -7.4042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4875 -8.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1667 -8.5833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1667 -6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -8.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -7.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -9.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -5.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 17 18 1 1 0 0 0 12 19 1 1 0 0 0 10 20 1 1 0 0 0 2 21 1 1 0 0 0 3 22 1 1 0 0 0 3 23 1 6 0 0 0 5 24 1 6 0 0 0 14 25 1 6 0 0 0 11 26 1 6 0 0 0 18 27 1 6 0 0 0 18 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 30 35 1 1 0 0 0 9 36 1 6 0 0 0 37 35 1 1 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 37 1 0 0 0 0 39 43 1 1 0 0 0 41 44 1 1 0 0 0 42 45 1 6 0 0 0 40 46 1 6 0 0 0 43 47 1 0 0 0 0 48 21 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 48 1 0 0 0 0 50 54 1 1 0 0 0 52 55 1 1 0 0 0 51 56 1 6 0 0 0 53 57 1 6 0 0 0 54 58 1 0 0 0 0 M END > CFN92191 > Mogroside IIe > 88901-38-6 > 98% > C42H72O14 > 801.0 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Mogroside-Iie-CFN92191.html $$$$ -ISIS- 10201511232D 23 25 0 0 0 0 0 0 0 0999 V2000 4.4417 -7.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -8.5125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0333 -8.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0333 -7.1333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2375 -6.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -8.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 -7.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -6.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 -6.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 -5.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -9.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0333 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0333 -8.9708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6958 -9.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2125 -5.2958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2125 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0083 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 -4.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 -8.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 10 1 0 0 0 0 3 15 1 1 0 0 0 5 16 1 1 0 0 0 4 17 1 6 0 0 0 3 18 1 6 0 0 0 12 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 13 22 1 0 0 0 0 8 23 2 0 0 0 0 M END > CFN92187 > Sugiol > 511-05-7 > 98% > C20H28O2 > 300.4 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Sugiol-CFN92187.html $$$$ -ISIS- 10201511232D 30 32 0 0 0 0 0 0 0 0999 V2000 4.5458 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5458 -5.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3417 -5.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -5.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3417 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -5.9750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7375 -5.5125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7375 -4.5917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9417 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -6.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -7.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -8.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -8.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 -8.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 -7.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -9.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 -8.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 -9.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -4.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -5.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 -5.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3333 -5.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3333 -4.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -5.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 -10.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1333 -5.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1333 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 4 7 1 0 0 0 0 2 22 1 0 0 0 0 7 11 1 6 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 8 23 1 1 0 0 0 9 26 1 6 0 0 0 22 27 1 0 0 0 0 17 28 1 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 M END > CFN92069 > Phyltetralin > 123048-17-9 > 98% > C24H32O6 > 416.5 > Cryst. > Lignans > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Phyltetralin-CFN92069.html $$$$ -ISIS- 10201511232D 17 18 0 0 0 0 0 0 0 0999 V2000 5.3458 -5.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3458 -6.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1375 -7.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -6.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8000 -6.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3375 -6.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8000 -5.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 -7.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5583 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5583 -7.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -6.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5583 -7.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3458 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 -7.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 7 10 1 0 0 0 0 1 11 1 6 0 0 0 2 12 1 1 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 1 16 1 1 0 0 0 3 17 2 0 0 0 0 M END > CFN92027 > Curzerenone > 20493-56-5 > 98% > C15H18O2 > 230.3 > Powder > Sesquiterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Curzerenone-CFN92027.html $$$$ -ISIS- 10201511232D 15 16 0 0 0 0 0 0 0 0999 V2000 3.4292 -7.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -8.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2333 -8.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0417 -8.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -7.3375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2333 -6.8667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8458 -6.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2333 -5.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -9.2000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7667 -9.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7958 -10.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9708 -9.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -7.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4583 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -8.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 6 0 0 0 6 8 1 0 0 0 0 3 9 1 1 0 0 0 6 9 1 1 0 0 0 3 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 7 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 M END > CFN90494 > Bornyl acetate > 5655-61-8 > 98% > C12H20O2 > 196.28 > Oil > Monoterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Bornyl-acetate-CFN90494.html $$$$ -ISIS- 10201511232D 46 45 0 0 0 0 0 0 0 0999 V2000 2.9083 -2.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5458 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8083 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2292 -1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0750 -1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4958 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3375 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7583 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -3.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4958 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3375 -3.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4958 -3.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0750 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2292 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8083 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7583 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2292 -6.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0750 -6.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4958 -6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3375 -6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7583 -7.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7583 -6.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3375 -8.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4958 -8.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0750 -9.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2292 -9.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8083 -9.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -9.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4958 -9.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5458 -9.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -9.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -8.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -9.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -9.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -9.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -9.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -8.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 7 2 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 4 16 1 0 0 0 0 8 17 1 0 0 0 0 12 18 1 0 0 0 0 15 19 2 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 2 0 0 0 0 19 24 1 0 0 0 0 25 23 1 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 27 2 0 0 0 0 29 28 1 0 0 0 0 23 30 1 0 0 0 0 28 31 1 0 0 0 0 32 29 1 0 0 0 0 33 32 1 0 0 0 0 34 33 2 0 0 0 0 35 34 1 0 0 0 0 36 35 1 0 0 0 0 37 36 1 0 0 0 0 34 38 1 0 0 0 0 39 37 2 0 0 0 0 40 39 1 0 0 0 0 39 41 1 0 0 0 0 42 40 1 0 0 0 0 43 42 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 M END > CFN90454 > Solanesol > 13190-97-1 > 98% > C45H74O > 631.07 > Powder > Miscellaneous > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Solanesol-CFN90454.html $$$$ -ISIS- 10201511232D 12 11 0 0 0 0 0 0 0 0999 V2000 3.9042 -6.3208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7583 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -6.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 -6.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7583 -4.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -7.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -4.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -6.3208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3542 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 -6.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 1 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 7 2 0 0 0 0 1 8 1 1 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 M END > CFN90429 > L-Theanine > 3081-61-6 > 98% > C7H14N2O3 > 174.19 > Cryst. > Alkaloids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/L-Theanine-CFN90429.html $$$$ -ISIS- 10201511232D 12 13 0 0 0 0 0 0 0 0999 V2000 3.2833 -2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2833 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -4.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7333 -4.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7333 -2.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7333 -5.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -2.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 M END > CFN90419 > 4-Hydroxycoumarin > 1076-38-6 > 98% > C9H6O3 > 162.14 > Powder > Flavonoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/4-Hydroxycoumarin-CFN90419.html $$$$ -ISIS- 10201511232D 19 20 0 0 0 0 0 0 0 0999 V2000 4.0083 -4.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0083 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -4.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -4.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -4.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 -4.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -4.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9542 -4.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7792 -4.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7792 -3.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9542 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -3.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1833 -4.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -7.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6042 -2.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3583 -4.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0083 -7.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 7 2 0 0 0 0 9 8 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 1 15 1 0 0 0 0 3 16 1 0 0 0 0 12 17 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 M END > CFN90397 > Pterostilbene > 537-42-8 > 98% > C16H16O3 > 256.30 > Cryst. > Phenols > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Pterostilbene-CFN90397.html $$$$ -ISIS- 10201511232D 34 37 0 0 0 0 0 0 0 0999 V2000 3.9708 -6.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9708 -7.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5708 -7.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5708 -6.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -5.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 -7.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 -6.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -5.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -5.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7792 -6.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5833 -5.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5833 -4.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7792 -4.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -4.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3792 -4.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -7.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -8.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -8.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -5.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -8.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1708 -8.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 -9.8625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9750 -10.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7792 -9.8625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7792 -8.9375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5833 -10.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -10.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5833 -8.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -11.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -11.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7792 -3.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3792 -6.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 8 18 1 0 0 0 0 7 19 2 0 0 0 0 3 20 1 0 0 0 0 1 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 18 1 1 0 0 0 26 28 1 1 0 0 0 24 29 1 1 0 0 0 27 30 1 6 0 0 0 25 31 1 1 0 0 0 29 32 1 0 0 0 0 15 33 1 0 0 0 0 13 34 1 0 0 0 0 M END > CFN97817 > Myricetin 3-O-galactoside > 15648-86-9 > 98% > C21H20O13 > 480.38 > Yellow powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Myricetin-3-O-galactoside-CFN97817.html $$$$ -ISIS- 10201511232D 91 99 0 0 0 0 0 0 0 0999 V2000 2.4167 -8.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -9.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0500 -9.7917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6750 -9.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -8.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0500 -8.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -9.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9333 -9.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9333 -8.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3042 -8.3333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5625 -8.3333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5625 -7.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9333 -7.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -7.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -8.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -7.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -7.3833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4792 -6.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5625 -6.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -9.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -9.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -10.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4083 -10.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -7.9708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -7.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5625 -9.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -6.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 -6.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6958 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3958 -6.8500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9083 -7.3667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6125 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7250 -8.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4250 -7.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5833 -6.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9333 -7.9708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2167 -5.7917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8417 -6.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4750 -5.7917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4750 -5.0667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8417 -4.7000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2167 -5.0667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1000 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8417 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5833 -4.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1000 -4.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7292 -5.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 -9.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1625 -8.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 -8.3333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0958 -8.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0958 -9.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5333 -9.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5333 -7.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -9.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -8.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 -10.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -7.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -6.5208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5333 -6.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 -5.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0958 -5.0708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7250 -5.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7250 -6.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1625 -5.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3542 -5.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -4.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3542 -6.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 -4.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5833 -3.9792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2125 -3.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2125 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5833 -2.5208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9500 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9500 -3.6167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3542 -6.1542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3500 -6.8833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9792 -7.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6125 -6.8833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6125 -6.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9792 -5.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8417 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3208 -2.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7250 -7.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2417 -7.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9792 -7.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2417 -5.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5833 -1.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8417 -1.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8708 -6.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 17 18 1 1 0 0 0 12 19 1 1 0 0 0 10 20 1 1 0 0 0 2 21 1 1 0 0 0 3 22 1 1 0 0 0 3 23 1 6 0 0 0 5 24 1 6 0 0 0 14 25 2 0 0 0 0 11 26 1 6 0 0 0 18 27 1 6 0 0 0 18 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 30 35 1 1 0 0 0 9 36 1 6 0 0 0 37 35 1 1 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 37 1 0 0 0 0 39 43 1 1 0 0 0 41 44 1 1 0 0 0 42 45 1 6 0 0 0 40 46 1 6 0 0 0 43 47 1 0 0 0 0 48 21 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 48 1 0 0 0 0 50 54 1 1 0 0 0 52 55 1 1 0 0 0 51 56 1 6 0 0 0 53 57 1 6 0 0 0 54 58 1 0 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 59 1 0 0 0 0 61 65 1 1 0 0 0 63 66 1 1 0 0 0 62 67 1 6 0 0 0 64 68 1 6 0 0 0 65 69 1 0 0 0 0 70 45 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 70 1 0 0 0 0 76 47 1 6 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 76 1 0 0 0 0 72 82 1 1 0 0 0 74 83 1 1 0 0 0 77 84 1 1 0 0 0 79 85 1 1 0 0 0 78 86 1 6 0 0 0 80 87 1 6 0 0 0 73 88 1 6 0 0 0 75 89 1 6 0 0 0 82 90 1 0 0 0 0 87 91 1 0 0 0 0 M END > CFN90365 > 11-Oxo-mogroside V > 126105-11-1 > 98% > C60H100O29 > 1285.42 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/11-Oxo-mogroside-V-CFN90365.html $$$$ -ISIS- 10201511232D 30 33 0 0 0 0 0 0 0 0999 V2000 5.0333 -7.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -6.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9167 -7.6708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6542 -7.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6542 -6.2083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9167 -5.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0333 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 -7.5792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2375 -7.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2375 -6.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 -5.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4500 -8.4958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6542 -8.9542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8583 -8.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -9.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2375 -8.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 -6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 -4.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -5.2917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2375 -8.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -7.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5208 -6.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 -8.1292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4458 -10.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4458 -11.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2375 -9.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0333 -10.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8250 -9.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8250 -8.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6167 -10.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 2 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 5 1 0 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 1 0 0 0 12 16 1 1 0 0 0 2 17 1 1 0 0 0 11 18 1 6 0 0 0 5 19 1 6 0 0 0 8 20 1 6 0 0 0 4 21 1 6 0 0 0 2 22 1 6 0 0 0 22 21 1 0 0 0 0 3 23 1 1 0 0 0 3 14 1 0 0 0 0 15 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 M END > CFN90313 > Artesunate > 88495-63-0 > 98% > C19H28O8 > 384.42 > Cryst. > Sesquiterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Artesunate-CFN90313.html $$$$ -ISIS- 10201511232D 27 28 0 0 0 0 0 0 0 0999 V2000 -0.1250 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -6.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -7.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -6.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9083 -7.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9958 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5583 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -5.5083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1208 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6750 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6750 -6.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -7.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2458 -6.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2458 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0208 -7.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -4.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -4.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0167 -5.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9042 -5.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -5.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7958 -5.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 18 21 1 0 0 0 0 10 22 2 0 0 0 0 12 23 1 6 0 0 0 19 24 1 0 0 0 0 1 25 1 0 0 0 0 25 26 1 0 0 0 0 24 27 1 0 0 0 0 M END > CFN97749 > Hexahydrocurcumin > 36062-05-2 > 98% > C21H26O6 > 374.43 > Powder > Phenols > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Hexahydrocurcumin-CFN97749.html $$$$ -ISIS- 10201511232D 68 75 0 0 0 0 0 0 0 0999 V2000 2.1333 -6.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1333 -6.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7958 -7.2250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4542 -6.8417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4542 -6.0833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7958 -5.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 -6.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 -6.0833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1125 -5.7000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4333 -4.9375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7750 -4.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -5.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4333 -6.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -5.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -7.6042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -5.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4333 -5.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 -7.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -7.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7958 -8.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -7.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 -6.4625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 -8.2667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3333 -7.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3292 -8.2667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3292 -9.0250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3333 -9.4083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9917 -9.0250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3333 -10.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -7.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -9.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -9.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 -8.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -4.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -4.2792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9583 -4.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -4.9375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1000 -4.2792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7167 -3.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9583 -3.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1000 -5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1000 -2.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -2.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8583 -4.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8625 -5.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8333 -2.7625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3750 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1083 -3.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3083 -2.3667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7667 -1.8292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0333 -2.0250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9625 -1.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6458 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4958 -1.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0417 -2.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3833 -3.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6917 -0.7542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4292 -0.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6250 0.1792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0875 0.7167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3500 0.5208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1542 -0.2125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2833 1.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3583 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 10 1 0 0 0 0 14 15 1 0 0 0 0 5 16 1 6 0 0 0 4 17 1 1 0 0 0 14 18 2 0 0 0 0 11 19 1 0 0 0 0 9 19 1 0 0 0 0 11 14 1 0 0 0 0 9 15 1 0 0 0 0 3 20 1 6 0 0 0 3 21 1 1 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 10 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 25 1 0 0 0 0 25 23 1 1 0 0 0 29 31 1 1 0 0 0 27 32 1 1 0 0 0 30 33 1 6 0 0 0 28 34 1 6 0 0 0 32 35 1 0 0 0 0 11 36 1 6 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 37 1 0 0 0 0 39 43 1 1 0 0 0 41 44 1 1 0 0 0 42 45 1 6 0 0 0 40 46 1 6 0 0 0 43 47 1 0 0 0 0 48 44 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 48 1 0 0 0 0 52 54 1 1 0 0 0 50 55 1 1 0 0 0 53 56 1 6 0 0 0 51 57 1 6 0 0 0 55 58 1 0 0 0 0 59 56 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 59 1 0 0 0 0 62 65 1 1 0 0 0 63 66 1 6 0 0 0 64 67 1 6 0 0 0 61 68 1 6 0 0 0 M END > CFN90258 > Rebaudioside C > 63550-99-2 > 98% > C44H70O22 > 951.02 > Powder > Diterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Rebaudioside-C-CFN90258.html $$$$ -ISIS- 10201511232D 69 77 0 0 0 0 0 0 0 0999 V2000 2.7125 -6.7875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2417 -7.6083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1500 -7.3458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0667 -7.6083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5417 -6.7875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6292 -7.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 -5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8958 -5.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -8.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -6.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -8.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9083 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9083 -4.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 -4.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7333 -4.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7333 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9083 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9083 -7.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7333 -7.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7333 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 -3.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 -4.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 -2.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 -5.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 -7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 -8.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -4.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2708 -3.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -7.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -5.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 -5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 -4.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 -6.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 -7.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8208 -6.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8208 -5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6417 -5.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6417 -7.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 -8.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2958 -10.6583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2458 -10.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -11.5583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7708 -12.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -11.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 -9.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4458 -11.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -11.7542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4625 -11.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0958 -11.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -9.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -9.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7083 -8.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -12.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0208 -11.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -11.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9083 -9.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8333 -9.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7708 -9.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -12.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2583 -12.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -12.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 2 9 1 0 0 0 0 3 10 1 0 0 0 0 4 11 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 18 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 17 26 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 15 30 1 0 0 0 0 30 8 1 0 0 0 0 30 31 2 0 0 0 0 23 32 1 0 0 0 0 32 10 1 0 0 0 0 32 33 2 0 0 0 0 5 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 36 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 36 1 0 0 0 0 41 43 1 0 0 0 0 40 44 1 0 0 0 0 39 45 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 47 2 0 0 0 0 46 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 48 1 0 0 0 0 50 55 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 58 47 1 0 0 0 0 11 59 1 0 0 0 0 59 60 2 0 0 0 0 59 58 1 0 0 0 0 55 61 1 0 0 0 0 56 62 1 0 0 0 0 53 63 2 0 0 0 0 9 64 1 0 0 0 0 64 51 1 0 0 0 0 64 65 2 0 0 0 0 46 66 1 6 0 0 0 48 67 1 6 0 0 0 54 68 1 1 0 0 0 54 69 1 6 0 0 0 14 18 1 0 0 0 0 M END > CFN90256 > Geraniin > 60976-49-0 > 98% > C41H28O27 > 952.64 > Powder > Phenols > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Geraniin-CFN90256.html $$$$ -ISIS- 10201511232D 29 30 0 0 0 0 0 0 0 0999 V2000 1.5417 -8.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 -8.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 -9.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -8.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -8.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 -7.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -9.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5083 -8.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5083 -8.0875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7667 -7.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9958 -8.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7333 -7.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -8.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2208 -7.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9583 -8.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7042 -7.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4458 -8.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1833 -7.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9292 -8.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 -6.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -9.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -8.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4458 -8.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6708 -7.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4167 -8.0875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.1542 -7.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4167 -8.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5083 -7.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 6 21 1 0 0 0 0 2 22 1 0 0 0 0 14 23 1 1 0 0 0 18 24 1 1 0 0 0 20 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 9 29 1 1 0 0 0 M END > CFN97674 > Dehydro-¦Ä-tocopherol > 802909-72-4 > 98% > C27H44O2 > 400.65 > Oil > Phenols > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Dehydro-tocopherol-CFN97674.html $$$$ -ISIS- 10201511232D 24 26 0 0 0 0 0 0 0 0999 V2000 3.4667 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -6.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9833 -6.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -6.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9833 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -6.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5458 -6.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5458 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -5.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5833 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -4.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5833 -4.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -4.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 -4.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -7.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9833 -7.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9458 -6.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -6.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9458 -5.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9833 -4.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 7 18 2 0 0 0 0 3 19 1 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 1 22 1 0 0 0 0 22 23 1 0 0 0 0 6 24 1 0 0 0 0 M END > CFN97562 > Isothymusin > 98755-25-0 > 98% > C17H14O7 > 330.3 > Yellow powder > Flavonoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Isothymusin-CFN97562.html $$$$ -ISIS- 10201511232D 22 24 0 0 0 0 0 0 0 0999 V2000 3.9625 -6.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -7.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7458 -8.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -7.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -6.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7458 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -8.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0958 -7.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0958 -6.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -6.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 -6.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4458 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4458 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 -5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2292 -5.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -9.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7458 -9.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -6.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2292 -6.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0167 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 7 18 2 0 0 0 0 3 19 1 0 0 0 0 1 20 1 0 0 0 0 13 21 1 0 0 0 0 17 22 1 0 0 0 0 M END > CFN90210 > Diosmetin > 520-34-3 > 98% > C16H12O6 > 300.26 > Yellow powder > Flavonoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Diosmetin-CFN90210.html $$$$ -ISIS- 10201511232D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7833 -7.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7833 -5.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -7.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -5.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -6.1417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6750 -7.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -5.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -4.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -6.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -7.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 1 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 12 16 1 0 0 0 0 M END > CFN90202 > Abrine > 526-31-8 > 98% > C12H14N2O2 > 218.25 > Cryst. > Alkaloids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Abrine-CFN90202.html $$$$ -ISIS- 10201511232D 35 40 0 0 0 0 0 0 0 0999 V2000 -1.4917 -9.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4917 -10.8125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6917 -11.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1083 -10.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1083 -9.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6917 -9.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9083 -11.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -10.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -9.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9083 -9.4292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5042 -9.4292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5042 -8.5042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7042 -8.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9083 -8.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3833 -9.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 -8.9667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3833 -8.2208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8042 -8.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -7.7583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9250 -7.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6458 -8.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3917 -7.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2958 -6.6750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4542 -6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -6.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -6.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9083 -10.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2875 -11.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1083 -8.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -7.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -8.9667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -9.7667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -9.1125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -10.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 17 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 19 25 1 6 0 0 0 23 26 1 6 0 0 0 20 27 1 6 0 0 0 10 28 1 6 0 0 0 2 29 1 1 0 0 0 5 30 1 1 0 0 0 12 31 1 1 0 0 0 9 32 1 1 0 0 0 16 33 1 6 0 0 0 17 34 1 6 0 0 0 11 35 1 6 0 0 0 M END > CFN90200 > Solasodine > 126-17-0 > 98% > C27H43NO2 > 413.62 > Cryst. > Alkaloids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Solasodine-CFN90200.html $$$$ -ISIS- 10201511232D 40 44 0 0 0 0 0 0 0 0999 V2000 5.0292 -8.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -9.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -10.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6208 -9.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6208 -8.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -8.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -10.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 -9.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 -8.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -8.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0125 -8.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8042 -8.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6042 -8.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6042 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8042 -7.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0125 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -11.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3958 -7.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -11.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -8.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -7.5167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0292 -7.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -6.1417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2375 -5.6792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4417 -6.1417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4417 -7.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6417 -7.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -5.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -4.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6208 -6.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -7.0583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7542 -6.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -6.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0083 -7.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8167 -8.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4042 -7.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0667 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -5.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 3 17 1 0 0 0 0 14 18 1 0 0 0 0 7 19 2 0 0 0 0 1 20 1 0 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 26 27 1 6 0 0 0 25 28 1 1 0 0 0 24 29 1 6 0 0 0 23 30 1 1 0 0 0 30 31 1 0 0 0 0 32 27 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 32 1 0 0 0 0 36 37 1 6 0 0 0 35 38 1 6 0 0 0 35 39 1 1 0 0 0 39 40 1 0 0 0 0 M END > CFN90165 > Apiin > 26544-34-3 > 98% > C26H28O14 > 564.49 > Yellow powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Apiin-CFN90165.html $$$$ -ISIS- 10201511232D 33 35 0 0 0 0 0 0 0 0999 V2000 4.4375 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 -5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9583 -5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 -5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9583 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9583 -6.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9958 -5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9583 -3.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 -6.3042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9167 -6.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -6.3042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4000 -6.9042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9167 -7.2042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4375 -6.9042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9167 -7.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3583 -6.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9583 -7.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -7.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -5.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0333 -5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0333 -6.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 -5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5958 -5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5958 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 -6.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0333 -4.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0333 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5958 -6.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 6 9 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 10 1 0 0 0 0 10 7 1 1 0 0 0 14 16 1 1 0 0 0 12 17 1 1 0 0 0 17 18 1 0 0 0 0 15 19 1 6 0 0 0 13 20 1 6 0 0 0 8 21 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 23 1 0 0 0 0 25 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 30 33 1 0 0 0 0 M END > CFN97419 > Curculigoside > 85643-19-2 > 98% > C22H26O11 > 466.4 > Powder > Phenols > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Curculigoside-CFN97419.html $$$$ -ISIS- 10201511232D 27 31 0 0 0 0 0 0 0 0999 V2000 3.1750 -6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -7.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -7.6042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7500 -7.1500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7500 -6.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9625 -5.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -7.6042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3292 -7.1500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3292 -6.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5417 -5.7833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1167 -4.8708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3292 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -4.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5083 -8.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -8.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -4.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -8.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -8.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -7.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9083 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -6.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -5.3292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9083 -7.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -5.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6958 -5.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 10 1 0 0 0 0 3 14 1 1 0 0 0 3 15 1 6 0 0 0 6 16 2 0 0 0 0 4 17 1 1 0 0 0 7 18 1 1 0 0 0 8 19 1 1 0 0 0 20 21 1 0 0 0 0 5 22 1 6 0 0 0 8 23 1 6 0 0 0 22 23 1 0 0 0 0 10 5 1 0 0 0 0 10 24 1 1 0 0 0 21 25 2 0 0 0 0 11 26 1 6 0 0 0 9 26 1 6 0 0 0 11 20 1 0 0 0 0 9 21 1 0 0 0 0 20 27 2 0 0 0 0 M END > CFN97402 > Eriocalyxin B > 84745-95-9 > 98% > C20H24O5 > 344.4 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Eriocalyxin-B-CFN97402.html $$$$ -ISIS- 10201511232D 32 34 0 0 0 0 0 0 0 0999 V2000 1.0750 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6333 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6333 -2.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6708 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6708 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6333 -4.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 -4.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5583 -2.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5583 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4792 -3.6125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9958 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4792 -4.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7083 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7083 -4.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6708 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -1.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -1.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 8 12 1 0 0 0 0 7 13 2 0 0 0 0 3 14 1 0 0 0 0 1 15 1 0 0 0 0 15 16 1 0 0 0 0 2 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 12 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 11 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 11 1 0 0 0 0 30 31 1 0 0 0 0 28 32 1 0 0 0 0 M END > CFN97239 > Artocarpin > 7608-44-8 > 98% > C26H28O6 > 436.5 > Yellow powder > Flavonoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Artocarpin-CFN97239.html $$$$ -ISIS- 10201511232D 36 40 0 0 0 0 0 0 0 0999 V2000 7.5042 -5.7833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5042 -6.6833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2792 -7.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0583 -6.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0583 -5.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6458 -5.5083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1208 -6.2333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6458 -6.9625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7542 -7.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -4.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -4.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -7.5833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -8.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0583 -8.4833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0583 -9.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8375 -9.8292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6167 -9.3792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6167 -8.4833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8375 -8.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3958 -8.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8375 -10.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8375 -7.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3958 -9.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6167 -11.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6458 -7.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8708 -8.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -3.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -5.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 7 11 1 1 0 0 0 1 12 1 1 0 0 0 2 13 1 1 0 0 0 8 10 1 1 0 0 0 9 10 1 1 0 0 0 3 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 15 14 1 1 0 0 0 19 21 1 1 0 0 0 17 22 1 1 0 0 0 20 23 1 6 0 0 0 18 24 1 6 0 0 0 22 25 1 0 0 0 0 9 26 1 6 0 0 0 27 26 1 0 0 0 0 28 11 1 0 0 0 0 29 28 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 29 1 0 0 0 0 33 36 1 0 0 0 0 M END > CFN97148 > Catalposide > 6736-85-2 > 98% > C22H26O12 > 482.4 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Catalposide-CFN97148.html $$$$ -ISIS- 10201511232D 23 24 0 0 0 0 0 0 0 0999 V2000 2.8333 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8333 -7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5833 -8.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5833 -6.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -6.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5958 -6.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -6.8667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 -6.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8542 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5958 -5.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6083 -6.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3625 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1125 -6.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1125 -5.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3625 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6083 -5.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -8.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8667 -5.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -6.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 7 2 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 9 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 2 20 1 0 0 0 0 17 21 1 0 0 0 0 1 22 1 0 0 0 0 22 23 1 0 0 0 0 M END > CFN97135 > N-trans-Feruloyltyramine > 66648-43-9 > 98% > C18H19NO4 > 313.4 > Powder > Phenylpropanoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/N-trans-Feruloyltyramine-CFN97135.html $$$$ -ISIS- 10201511232D 42 46 0 0 0 0 0 0 0 0999 V2000 3.7042 -4.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -5.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -4.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -5.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -4.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -3.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4583 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -6.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2083 -4.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9583 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9583 -2.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2083 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4583 -2.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7083 -2.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -3.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -6.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -5.3458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2042 -4.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -5.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4542 -6.2125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2042 -6.6458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9542 -6.2125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2042 -7.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -6.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -6.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -5.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.7458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7042 -2.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -1.4458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9542 -1.0125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2042 -1.4458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2042 -2.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4542 -1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -0.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -0.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -2.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 11 1 0 0 0 0 15 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 21 2 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 25 27 1 1 0 0 0 23 28 1 1 0 0 0 24 29 1 6 0 0 0 26 30 1 6 0 0 0 28 31 1 0 0 0 0 32 19 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 36 38 1 1 0 0 0 34 39 1 1 0 0 0 39 40 1 0 0 0 0 35 41 1 6 0 0 0 37 42 1 6 0 0 0 M END > CFN90134 > Saponarin > 20310-89-8 > 98% > C27H30O15 > 594.52 > Yellow powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Saponarin-CFN90134.html $$$$ -ISIS- 10201511232D 9 9 0 0 0 0 0 0 0 0999 V2000 4.8167 -11.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -12.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6833 -12.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -12.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -11.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6833 -10.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -10.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2833 -11.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -12.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 2 9 1 0 0 0 0 M END > CFN97071 > 4-Hydroxybenzyl alcohol > 623-05-2 > 98% > C7H8O2 > 124.1 > Powder > Phenols > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/4-Hydroxybenzyl-alcohol-CFN97071.html $$$$ -ISIS- 10201511232D 14 16 0 0 0 0 0 0 0 0999 V2000 4.7417 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -6.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5583 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -6.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5583 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -6.9250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0083 -6.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0083 -5.5083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.1917 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 -6.9250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6458 -6.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6458 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 -7.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 9 1 0 0 0 0 11 14 1 6 0 0 0 M END > CFN97052 > Vasicine > 6159-55-3 > 98% > C11H12N2O > 188.2 > Powder > Alkaloids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Vasicine-CFN97052.html $$$$ -ISIS- 10201511232D 44 47 0 0 0 0 0 0 0 0999 V2000 4.4250 -4.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4250 -5.1625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2208 -5.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0167 -5.1625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0167 -4.2417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2208 -3.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8083 -3.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6083 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1958 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1958 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9917 -5.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9917 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5875 -5.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5875 -3.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -6.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6333 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8083 -5.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6333 -5.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -7.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6333 -6.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8333 -7.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8333 -7.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6333 -8.3792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4250 -7.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6333 -9.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -8.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -8.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8333 -4.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -2.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 -5.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7375 -5.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7375 -3.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 5 7 1 1 0 0 0 3 18 1 1 0 0 0 1 19 1 1 0 0 0 4 20 1 6 0 0 0 2 21 1 6 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 18 1 1 0 0 0 27 29 1 6 0 0 0 25 30 1 1 0 0 0 26 28 1 6 0 0 0 24 31 1 6 0 0 0 32 19 1 0 0 0 0 33 32 1 0 0 0 0 34 33 1 0 0 0 0 35 34 2 0 0 0 0 33 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 37 1 0 0 0 0 40 43 1 0 0 0 0 39 44 1 0 0 0 0 M END > CFN97049 > Isoacteoside > 61303-13-7 > 98% > C29H36O15 > 624.6 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Isoacteoside-CFN97049.html $$$$ -ISIS- 10201511232D 34 35 0 0 0 0 0 0 0 0999 V2000 1.5417 -8.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 -8.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 -9.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -8.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -8.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 -7.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -9.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5083 -8.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5083 -8.0875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7667 -7.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9958 -8.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7333 -7.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -8.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2208 -7.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9583 -8.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7042 -7.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4458 -8.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1833 -7.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9292 -8.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 -6.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -9.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -8.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4458 -8.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6708 -7.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4167 -8.0875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.1542 -7.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4167 -8.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5083 -7.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -7.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 -10.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -8.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6792 -9.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -8.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 6 21 1 0 0 0 0 2 22 1 0 0 0 0 14 23 1 1 0 0 0 18 24 1 1 0 0 0 20 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 9 29 1 1 0 0 0 1 30 1 0 0 0 0 3 31 1 0 0 0 0 22 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 M END > CFN98999 > alpha-Tocopherol acetate > 58-95-7 > 98% > C31H52O3 > 472.8 > Oil > Phenols > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/alpha-Tocopherol-acetate-CFN98999.html $$$$ -ISIS- 10201511232D 25 29 0 0 0 0 0 0 0 0999 V2000 -1.1250 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6042 -0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6042 0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -0.8583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9542 -0.5583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.9542 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6042 -1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6042 -2.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -1.1583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 -2.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 -2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6042 -3.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 0.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 -0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 -0.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 3 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 7 1 0 0 0 0 11 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 8 18 1 0 0 0 0 7 19 1 6 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 16 22 1 0 0 0 0 1 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 2 1 0 0 0 0 M END > CFN98998 > Cassythicine > 5890-28-8 > 98% > C19H19NO4 > 325.4 > Powder > Alkaloids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Cassythicine-CFN98998.html $$$$ -ISIS- 10201511232D 34 38 0 0 0 0 0 0 0 0999 V2000 3.9208 -8.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 -9.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -9.6917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5083 -9.2333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5083 -8.3167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7167 -7.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 -9.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0958 -9.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0958 -8.3167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3000 -7.8583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8875 -7.8583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8875 -6.9417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0958 -6.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 -6.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6833 -8.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4750 -7.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4750 -6.9417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6833 -6.4833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2708 -6.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2708 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4750 -5.1083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6833 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 -9.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9333 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0167 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2708 -7.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 -8.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 -8.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5083 -10.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6833 -7.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5083 -7.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0958 -7.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 18 1 0 0 0 0 12 24 1 6 0 0 0 21 25 1 6 0 0 0 21 26 1 1 0 0 0 17 27 1 1 0 0 0 11 28 1 1 0 0 0 10 29 1 1 0 0 0 4 30 1 1 0 0 0 3 31 1 1 0 0 0 18 32 1 1 0 0 0 5 33 1 6 0 0 0 9 34 1 6 0 0 0 2 23 2 0 0 0 0 M END > CFN98936 > Friedelin > 559-74-0 > 98% > C30H50O > 426.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Friedelin-CFN98936.html $$$$ -ISIS- 10201511232D 33 36 0 0 0 0 0 0 0 0999 V2000 2.7333 -8.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7333 -9.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -9.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7708 -9.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7708 -8.7208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2542 -8.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -9.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -9.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -8.7208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2917 -8.4208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3292 -8.4208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3292 -7.8208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8125 -7.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -7.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 -9.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7708 -8.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -7.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -7.5208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3708 -7.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3708 -8.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -6.9208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3708 -6.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -6.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4083 -6.6208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9292 -6.9208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4500 -6.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4083 -6.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -5.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -7.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -6.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -9.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -9.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -8.1208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 2 15 2 0 0 0 0 5 16 1 1 0 0 0 12 17 1 1 0 0 0 12 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 11 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 2 0 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 24 27 1 1 0 0 0 27 28 1 0 0 0 0 25 29 1 0 0 0 0 21 30 1 6 0 0 0 18 21 1 1 0 0 0 10 31 1 6 0 0 0 11 32 1 6 0 0 0 9 33 1 1 0 0 0 M END > CFN98934 > Stigmasta-4,22-dien-3-one > 55722-32-2 > 98% > C29H46O > 410.7 > Powder > Steroids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Stigmasta-4-22-dien-3-one-CFN98934.html $$$$ -ISIS- 10201511232D 26 28 0 0 0 0 0 0 0 0999 V2000 4.5458 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5458 -5.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3417 -5.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -5.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3417 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -5.9750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7375 -5.5125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7375 -4.5917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9417 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -6.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -7.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -8.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -8.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 -8.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 -7.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -9.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 -8.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 -9.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -4.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -5.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 -5.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3333 -5.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3333 -4.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 4 7 1 0 0 0 0 2 22 1 0 0 0 0 7 11 1 1 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 8 23 1 6 0 0 0 9 26 1 1 0 0 0 M END > CFN98915 > Isolariciresinol > 548-29-8 > 98% > C20H24O6 > 360.4 > Powder > Lignans > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Isolariciresinol-CFN98915.html $$$$ -ISIS- 10201511232D 14 14 0 0 0 0 0 0 0 0999 V2000 4.9750 -7.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -8.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -8.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6458 -8.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6458 -7.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -6.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -6.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6458 -5.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -9.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -8.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -8.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -5.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -9.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -9.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 3 9 1 0 0 0 0 2 10 1 0 0 0 0 4 11 1 0 0 0 0 7 12 2 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 M END > CFN98884 > Syringic acid > 530-57-4 > 98% > C9H10O5 > 198.2 > Powder > Phenols > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Syringic-acid-CFN98884.html $$$$ -ISIS- 10201511232D 31 34 0 0 0 0 0 0 0 0999 V2000 6.3125 -7.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -8.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -7.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -6.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6583 -8.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -7.1292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6583 -6.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2250 -6.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0083 -7.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7875 -6.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7875 -5.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0083 -5.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2250 -5.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6583 -9.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -9.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5708 -5.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -6.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7458 -7.1292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9625 -6.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -7.1292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1792 -8.0292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9625 -8.4833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7458 -8.0292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9625 -9.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -6.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -8.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -8.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -7.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 14 19 1 0 0 0 0 1 20 1 0 0 0 0 9 11 1 6 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 20 1 1 0 0 0 25 27 1 1 0 0 0 23 28 1 1 0 0 0 26 29 1 6 0 0 0 24 30 1 6 0 0 0 28 31 1 0 0 0 0 M END > CFN98878 > Prunin > 529-55-5 > 98% > C21H22O10 > 434.4 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Prunin-CFN98878.html $$$$ -ISIS- 10201511232D 43 48 0 0 0 0 0 0 0 0999 V2000 2.7833 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7833 -7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0583 -8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0583 -6.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0875 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0875 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6083 -8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3708 -7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3708 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6083 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1250 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1250 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3708 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6083 -5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3708 -4.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1250 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1250 -3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3708 -2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6083 -3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6083 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0583 -9.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8833 -7.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -9.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1250 -8.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -6.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -5.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3708 -1.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0875 -8.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1250 -1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -4.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 13 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 17 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 22 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 7 33 2 0 0 0 0 23 34 2 0 0 0 0 3 35 1 0 0 0 0 20 36 1 0 0 0 0 1 37 1 0 0 0 0 14 38 1 0 0 0 0 30 39 1 0 0 0 0 18 40 1 0 0 0 0 39 41 1 0 0 0 0 37 42 1 0 0 0 0 38 43 1 0 0 0 0 M END > CFN98847 > Sciadopitysin > 521-34-6 > 98% > C33H24O10 > 580.6 > Yellow powder > Flavonoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Sciadopitysin-CFN98847.html $$$$ -ISIS- 10201511232D 20 22 0 0 0 0 0 0 0 0999 V2000 5.0083 -6.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0083 -7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7958 -7.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5833 -7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5833 -6.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7958 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3708 -7.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -6.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3708 -5.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9417 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7292 -6.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5167 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5167 -4.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7292 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9417 -4.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -5.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7958 -8.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3708 -8.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -6.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 1 17 1 0 0 0 0 3 18 1 0 0 0 0 7 19 2 0 0 0 0 9 11 1 0 0 0 0 17 20 1 0 0 0 0 M END > CFN98840 > Tectochrysin > 520-28-5 > 98% > C16H12O4 > 268.3 > Yellow cryst. > Flavonoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Tectochrysin-CFN98840.html $$$$ -ISIS- 10201511232D 19 20 0 0 0 0 0 0 0 0999 V2000 4.2458 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2458 -6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0583 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8708 -6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8708 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0583 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6833 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6833 -6.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -6.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0583 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6833 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3083 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1208 -6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1208 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3083 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9333 -6.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9333 -4.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 7 1 0 0 0 0 4 9 1 0 0 0 0 2 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 2 0 0 0 0 8 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 8 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 M END > CFN98836 > Maclurin > 519-34-6 > 98% > C13H10O6 > 262.2 > Yellow powder > Xanthones > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Maclurin-CFN98836.html $$$$ -ISIS- 10201511232D 26 30 0 0 0 0 0 0 0 0999 V2000 4.1125 -5.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 -6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8958 -7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -5.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8958 -5.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4583 -7.1417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2417 -6.6917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2417 -5.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4583 -5.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4583 -8.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -8.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0250 -8.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0250 -7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -9.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0250 -9.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8000 -9.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8000 -8.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5833 -8.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3625 -8.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5833 -9.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3625 -9.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -5.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7208 -6.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -6.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6833 -7.6083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 8 1 0 0 0 0 12 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 17 21 1 0 0 0 0 21 22 1 0 0 0 0 1 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 2 1 0 0 0 0 7 26 1 6 0 0 0 M END > CFN98810 > Canadine > 5096-57-1 > 98% > C20H21NO4 > 339.4 > Powder > Alkaloids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Canadine-CFN98810.html $$$$ -ISIS- 10201511232D 39 43 0 0 0 0 0 0 0 0999 V2000 8.5000 -5.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5000 -6.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2667 -7.0750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0375 -6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -5.4792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1375 -6.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6542 -6.9125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7750 -7.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -4.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -4.8625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -7.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -7.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -8.4042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0375 -9.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -9.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5708 -9.2875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5708 -8.4042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8000 -7.9583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3375 -7.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -10.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -7.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3375 -9.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5708 -11.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -7.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -8.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6583 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6583 -3.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -5.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0583 -5.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0583 -4.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 7 11 1 1 0 0 0 1 12 1 1 0 0 0 2 13 1 1 0 0 0 8 10 1 1 0 0 0 9 10 1 1 0 0 0 3 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 15 14 1 1 0 0 0 19 21 1 1 0 0 0 17 22 1 1 0 0 0 20 23 1 6 0 0 0 18 24 1 6 0 0 0 22 25 1 0 0 0 0 9 26 1 6 0 0 0 27 26 1 0 0 0 0 28 11 1 0 0 0 0 29 28 1 0 0 0 0 30 29 2 0 0 0 0 31 30 1 0 0 0 0 32 31 2 0 0 0 0 28 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 31 1 0 0 0 0 35 38 1 0 0 0 0 34 39 1 0 0 0 0 M END > CFN98809 > Verminoside > 50932-19-9 > 98% > C24H28O13 > 524.5 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Verminoside-CFN98809.html $$$$ -ISIS- 10201511232D 44 47 0 0 0 0 0 0 0 0999 V2000 6.4167 -5.6292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4167 -6.5625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2250 -7.0292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0333 -6.5625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0333 -5.6292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2250 -5.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -5.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -7.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2250 -7.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -7.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6458 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4542 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 -6.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0667 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8750 -6.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8750 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0667 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6792 -7.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6792 -5.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -8.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -8.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 -7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -6.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3833 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3833 -7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -8.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -9.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -6.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -8.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -5.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 -5.1667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9958 -4.2333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1917 -3.7667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3833 -4.2333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3833 -5.1667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1917 -5.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -3.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -3.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -2.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 1 0 0 0 4 8 1 6 0 0 0 3 9 1 1 0 0 0 2 10 1 6 0 0 0 11 7 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 21 9 1 0 0 0 0 22 21 1 0 0 0 0 23 22 2 0 0 0 0 24 23 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 24 1 0 0 0 0 21 30 2 0 0 0 0 27 31 1 0 0 0 0 28 32 1 0 0 0 0 1 33 1 1 0 0 0 33 34 1 0 0 0 0 35 34 1 6 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 35 1 0 0 0 0 38 41 1 6 0 0 0 39 42 1 1 0 0 0 36 43 1 1 0 0 0 37 44 1 1 0 0 0 M END > CFN98591 > Isoforsythiaside > 1357910-26-9 > 98% > C29H36O15 > 624.59 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Isoforsythiaside-CFN98591.html $$$$ -ISIS- 10201511232D 31 35 0 0 0 0 0 0 0 0999 V2000 4.0083 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0083 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7958 -7.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5708 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5708 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7958 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -7.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1333 -7.2542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1333 -6.3542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3500 -5.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -8.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9083 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9083 -7.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9083 -8.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6917 -9.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4667 -8.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4667 -7.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6917 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2500 -9.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0250 -8.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6917 -9.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9083 -10.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6917 -6.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1333 -5.4542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1333 -8.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -5.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7083 -4.9250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3417 -5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2583 -4.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3583 -4.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 8 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 18 23 1 0 0 0 0 23 12 1 0 0 0 0 9 24 1 1 0 0 0 8 25 1 1 0 0 0 6 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 1 1 0 0 0 0 27 29 1 1 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 M END > CFN98590 > Rotenone > 83-79-4 > 98% > C23H22O6 > 394.42 > Cryst. > Miscellaneous > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Rotenone-CFN98590.html $$$$ -ISIS- 10201511232D 44 45 0 0 0 0 0 0 0 0999 V2000 -3.8583 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8583 -6.9792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1792 -7.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1792 -5.8000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8167 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4542 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9458 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0333 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7542 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4333 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8167 -7.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4542 -5.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -5.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1167 -6.1917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7958 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7958 -5.0125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1167 -4.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4333 -5.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5417 -7.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4792 -4.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7542 -4.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 -6.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7875 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5708 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5083 -6.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1167 -3.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1792 -8.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 7 2 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 13 12 1 0 0 0 0 14 13 2 0 0 0 0 15 14 1 0 0 0 0 16 15 2 0 0 0 0 17 16 1 0 0 0 0 18 17 2 0 0 0 0 19 18 1 0 0 0 0 20 19 2 0 0 0 0 21 20 1 0 0 0 0 22 21 2 0 0 0 0 23 22 1 0 0 0 0 24 23 2 0 0 0 0 4 26 1 0 0 0 0 9 27 1 0 0 0 0 13 28 1 0 0 0 0 18 29 1 0 0 0 0 22 30 1 0 0 0 0 25 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 25 2 0 0 0 0 2 36 1 1 0 0 0 35 38 1 0 0 0 0 33 37 1 1 0 0 0 25 24 1 0 0 0 0 31 39 1 6 0 0 0 6 40 1 6 0 0 0 6 41 1 1 0 0 0 31 42 1 1 0 0 0 34 43 2 0 0 0 0 3 44 2 0 0 0 0 M END > CFN90096 > Astaxanthin > 472-61-7 > 98% > C40H52O4 > 596.85 > Red powder > Miscellaneous > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Astaxanthin-CFN90096.html $$$$ -ISIS- 10201511232D 21 23 0 0 0 0 0 0 0 0999 V2000 0.3042 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1208 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1208 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5708 -4.9625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5708 -4.0208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7542 -3.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2083 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0208 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0208 -2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2083 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1208 -6.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 -2.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -3.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -5.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 -4.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 3 17 1 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 9 11 1 6 0 0 0 8 20 1 6 0 0 0 13 21 1 0 0 0 0 M END > CFN98781 > Epicatechin > 490-46-0 > 98% > C15H14O6 > 290.3 > Powder > Flavonoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Epicatechin-CFN98781.html $$$$ -ISIS- 10201511232D 22 24 0 0 0 0 0 0 0 0999 V2000 3.9917 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -6.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -4.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4458 -6.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 -5.7375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2667 -4.7917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4458 -4.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0833 -4.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7208 -4.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7208 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0833 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4458 -7.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -7.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -4.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5375 -2.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0833 -6.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5375 -4.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 6 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 14 20 1 0 0 0 0 8 21 1 1 0 0 0 13 22 1 0 0 0 0 M END > CFN98734 > Taxifolin > 480-18-2 > 98% > C15H12O7 > 304.3 > Powder > Flavonoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Taxifolin-CFN98734.html $$$$ -ISIS- 10201511232D 22 25 0 0 0 0 0 0 0 0999 V2000 7.1417 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9333 -7.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9333 -5.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5125 -7.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3042 -7.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3042 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5125 -5.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5125 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9333 -5.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0958 -5.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0958 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3042 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5125 -8.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -7.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -5.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8833 -4.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8833 -6.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 6 1 0 0 0 0 9 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 11 2 0 0 0 0 12 17 2 0 0 0 0 7 18 2 0 0 0 0 2 19 1 0 0 0 0 1 20 1 0 0 0 0 15 21 1 0 0 0 0 14 22 1 0 0 0 0 M END > CFN98716 > Ellagic acid > 476-66-4 > 98% > C14H6O8 > 302.2 > Powder > Phenols > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Ellagic-acid-CFN98716.html $$$$ -ISIS- 10201511232D 31 33 0 0 0 0 0 0 0 0999 V2000 6.3083 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3083 -6.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0875 -6.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 -6.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0875 -4.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6458 -6.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4250 -6.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2042 -6.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9833 -6.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7625 -6.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5417 -6.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5417 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7625 -4.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9833 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5333 -4.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0875 -7.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6458 -4.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3167 -4.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6458 -7.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1208 -5.3958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1208 -6.2958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9000 -6.7458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6750 -6.2958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6750 -5.3958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9000 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -7.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -6.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -6.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 -5.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 1 16 1 0 0 0 0 3 17 1 0 0 0 0 5 18 1 0 0 0 0 13 19 1 0 0 0 0 7 20 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 23 27 1 1 0 0 0 21 28 1 1 0 0 0 24 29 1 6 0 0 0 22 30 1 6 0 0 0 28 31 1 0 0 0 0 25 16 1 1 0 0 0 M END > CFN98658 > Trilobatin > 4192-90-9 > 98% > C21H24O10 > 436.4 > Powder > Chalcones > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Trilobatin-CFN98658.html $$$$ -ISIS- 10201511232D 16 15 0 0 0 0 0 0 0 0999 V2000 2.3958 -6.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -6.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -6.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -6.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -6.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3083 -6.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -6.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -6.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 -6.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4375 -6.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2208 -6.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0042 -6.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3083 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9875 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8917 -5.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 6 2 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 2 13 1 0 0 0 0 6 14 1 0 0 0 0 10 15 1 1 0 0 0 10 16 1 6 0 0 0 M END > CFN98638 > Nerolidol > 40716-66-3 > 98% > C15H26O > 222.4 > Oil > Sesquiterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Nerolidol-CFN98638.html $$$$ -ISIS- 10201511232D 23 26 0 0 0 0 0 0 0 0999 V2000 2.7333 -2.9708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7333 -3.8833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -4.1667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4500 -4.4542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3417 -4.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7375 -3.4292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3417 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -2.4000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2458 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5833 -5.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -5.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2083 -5.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8083 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -6.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -3.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1083 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0208 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -1.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4958 -4.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -3.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 1 1 0 0 0 0 10 11 1 1 0 0 0 5 12 1 1 0 0 0 6 13 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 7 15 1 1 0 0 0 15 16 2 0 0 0 0 14 17 2 0 0 0 0 8 18 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 2 22 1 1 0 0 0 5 22 1 6 0 0 0 1 23 1 1 0 0 0 10 23 1 6 0 0 0 M END > CFN98630 > Epitulipinolide diepoxide > 39815-40-2 > 98% > C17H22O6 > 322.4 > Powder > Sesquiterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Epitulipinolide-diepoxide-CFN98630.html $$$$ -ISIS- 10201511232D 32 35 0 0 0 0 0 0 0 0999 V2000 5.4958 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4958 -6.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2833 -6.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0708 -6.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0708 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2833 -5.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -6.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6458 -6.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6458 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -5.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4375 -5.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2250 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0125 -5.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0125 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2250 -3.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4375 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8000 -3.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -7.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2833 -7.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -5.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4958 -8.2583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7042 -7.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -8.2583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9167 -9.1708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7042 -9.6250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4958 -9.1708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7042 -10.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 -7.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2833 -9.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 -9.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -8.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8000 -5.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 7 18 2 0 0 0 0 3 19 1 0 0 0 0 1 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 19 1 1 0 0 0 25 27 1 1 0 0 0 23 28 1 1 0 0 0 26 29 1 6 0 0 0 24 30 1 6 0 0 0 28 31 1 0 0 0 0 13 32 1 0 0 0 0 M END > CFN98568 > Luteollin 5-glucoside > 20344-46-1 > 98% > C21H20O11 > 448.38 > Yellow powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Luteollin-5-glucoside-CFN98568.html $$$$ -ISIS- 10201511232D 31 34 0 0 0 0 0 0 0 0999 V2000 4.4750 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0333 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0333 -4.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0708 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5917 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1125 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1125 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5917 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0708 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6292 -4.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0333 -6.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -6.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -4.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -6.1292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4333 -5.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -6.1292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9167 -6.7292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4333 -7.0292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9542 -6.7292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4333 -7.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3958 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -7.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -6.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3958 -7.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 7 18 2 0 0 0 0 3 19 1 0 0 0 0 1 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 2 1 1 0 0 0 25 27 1 1 0 0 0 23 28 1 1 0 0 0 26 29 1 6 0 0 0 28 30 1 0 0 0 0 24 31 1 6 0 0 0 M END > CFN98620 > Isovitexin > 38953-85-4 > 98% > C21H20O10 > 432.4 > Yellow powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Isovitexin-CFN98620.html $$$$ -ISIS- 10201511232D 39 42 0 0 0 0 0 0 0 0999 V2000 4.3333 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3333 -6.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -6.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 -7.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -6.7458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3417 -5.8792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0917 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0917 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8458 -8.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5958 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5958 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8458 -6.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 -8.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -8.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 -6.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3333 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3333 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -2.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5833 -2.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8333 -3.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0792 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -4.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -4.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8333 -4.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -4.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -5.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5833 -4.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0833 -4.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7917 -5.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -4.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 7 1 0 0 0 0 8 9 1 0 0 0 0 5 9 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 13 16 1 0 0 0 0 8 10 1 1 0 0 0 3 17 1 0 0 0 0 14 18 1 0 0 0 0 6 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 24 32 1 6 0 0 0 29 33 1 0 0 0 0 30 34 1 0 0 0 0 32 35 2 0 0 0 0 32 36 1 0 0 0 0 9 37 1 6 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 M END > CFN98546 > Lithospermic acid > 28831-65-4 > 98% > C27H22O12 > 538.46 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Lithospermic-acid-CFN98546.html $$$$ -ISIS- 10201511232D 22 24 0 0 0 0 0 0 0 0999 V2000 3.9375 -5.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -6.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -5.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3458 -6.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -5.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3458 -4.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3458 -7.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -7.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1333 -4.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9458 -6.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9458 -7.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7458 -8.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5500 -7.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5500 -6.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7458 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3458 -8.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3458 -6.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1500 -6.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 3 12 1 0 0 0 0 1 13 1 0 0 0 0 8 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 M END > CFN98492 > 3'-O-Methylorobol > 36190-95-1 > 98% > C16H12O6 > 300.3 > Yellow powder > Flavonoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/3-O-Methylorobol-CFN98492.html $$$$ -ISIS- 10201511232D 13 13 0 0 0 0 0 0 0 0999 V2000 4.6792 -6.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -7.5833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3042 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -6.1833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4875 -5.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4875 -8.5208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3042 -8.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -8.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -5.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9583 -4.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 -8.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 3 7 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 6 10 1 1 0 0 0 5 11 1 1 0 0 0 6 12 1 6 0 0 0 3 13 1 1 0 0 0 M END > CFN98490 > Mullilam diol > 36150-04-6 > 98% > C10H20O3 > 188.3 > Powder > Monoterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Mullilam-diol-CFN98490.html $$$$ -ISIS- 10201511232D 39 42 0 0 0 0 0 0 0 0999 V2000 9.1833 -5.5083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1833 -6.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9750 -6.8708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7667 -6.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7667 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9750 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3958 -6.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3958 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9750 -7.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6000 -6.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6000 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -5.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0208 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1458 -6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9750 -4.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1833 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7667 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1833 -8.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3958 -7.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6000 -8.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6000 -9.1625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3958 -9.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1833 -9.1625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9750 -9.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3958 -10.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -9.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -7.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1833 -4.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5625 -4.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -6.4167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2417 -6.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4458 -6.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -6.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -7.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4458 -8.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -7.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -8.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -6.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -6.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 2 0 0 0 0 1 8 1 0 0 0 0 3 9 1 1 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 11 14 2 0 0 0 0 6 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 9 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 18 1 0 0 0 0 23 24 1 6 0 0 0 22 25 1 1 0 0 0 21 26 1 6 0 0 0 20 27 1 1 0 0 0 1 28 1 1 0 0 0 17 29 1 0 0 0 0 13 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 31 1 0 0 0 0 34 37 1 0 0 0 0 33 38 1 0 0 0 0 39 27 1 0 0 0 0 30 39 1 6 0 0 0 M END > CFN98417 > Fraxamoside > 326594-34-7 > 98% > C25H30O13 > 538.5 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Fraxamoside-CFN98417.html $$$$ -ISIS- 10201511232D 32 35 0 0 0 0 0 0 0 0999 V2000 6.3167 -6.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -7.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 -7.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8000 -7.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8000 -6.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 -7.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 -7.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 -6.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 -5.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0208 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7625 -6.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5042 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5042 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7625 -4.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0208 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -5.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 -8.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 -8.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2458 -4.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -6.2708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0917 -5.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -6.2708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3542 -7.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0917 -7.5542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8333 -7.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0917 -8.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -7.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 -7.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8708 -6.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 -4.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 1 17 1 0 0 0 0 3 18 1 0 0 0 0 7 19 2 0 0 0 0 14 20 1 0 0 0 0 9 11 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 17 1 1 0 0 0 25 27 1 1 0 0 0 23 28 1 1 0 0 0 26 29 1 6 0 0 0 24 30 1 6 0 0 0 28 31 1 0 0 0 0 28 32 2 0 0 0 0 M END > CFN98500 > Apigenin-7-glucuronide > 29741-09-1 > 98% > C21H18O11 > 446.36 > Yellow powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Apigenin-7-glucuronide-CFN98500.html $$$$ -ISIS- 10201511232D 12 12 0 0 0 0 0 0 0 0999 V2000 4.5542 -6.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -7.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 -7.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 -7.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 -6.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 -6.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 -6.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8958 -6.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7333 -6.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5708 -6.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7333 -5.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -6.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 7 2 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 9 11 2 0 0 0 0 1 12 1 0 0 0 0 M END > CFN98181 > trans-3-Hydroxycinnamic acid > 14755-02-3 > 98% > C9H8O3 > 164.16 > White powder > Phenylpropanoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/trans-3-Hydroxycinnamic-acid-CFN98181.html $$$$ -ISIS- 10201511232D 34 37 0 0 0 0 0 0 0 0999 V2000 3.9708 -6.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9708 -7.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5708 -7.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5708 -6.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -5.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 -7.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 -6.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -5.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -5.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7792 -6.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5833 -5.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5833 -4.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7792 -4.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -4.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3792 -4.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -7.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -8.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -8.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -5.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -8.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1708 -8.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 -9.8625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9750 -10.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7792 -9.8625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7792 -8.9375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5833 -10.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -10.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5833 -8.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -11.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7792 -3.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3792 -6.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1833 -4.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 8 18 1 0 0 0 0 7 19 2 0 0 0 0 3 20 1 0 0 0 0 1 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 18 1 1 0 0 0 26 28 1 6 0 0 0 24 29 1 6 0 0 0 27 30 1 6 0 0 0 25 31 1 1 0 0 0 15 32 1 0 0 0 0 13 33 1 0 0 0 0 17 34 1 0 0 0 0 M END > CFN98387 > Mearnsitrin > 30484-88-9 > 98% > C22H22O12 > 478.4 > Yellow powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Mearnsitrin-CFN98387.html $$$$ -ISIS- 10201511232D 12 12 0 0 0 0 0 0 0 0999 V2000 4.8333 -6.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -7.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -7.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -7.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -6.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -7.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -6.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3708 -6.0250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3708 -5.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 -6.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0625 -6.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 1 8 1 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 M END > CFN98355 > 3,4-Dihydroxyphenylglycol > 28822-73-3 > 98% > C8H10O4 > 170.2 > Powder > Phenols > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/3-4-Dihydroxyphenylglycol-CFN98355.html $$$$ -ISIS- 10201511232D 29 31 0 0 0 0 0 0 0 0999 V2000 7.1833 -3.3042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1833 -4.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9917 -4.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8083 -4.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8083 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -4.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9917 -1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1833 -2.3667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1833 -5.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8083 -1.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1833 -1.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -5.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -6.1208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8000 -7.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6125 -7.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4250 -7.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4250 -6.1208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6125 -5.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2375 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6125 -8.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9875 -7.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2375 -7.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0500 -6.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -5.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6208 -1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 6 10 1 0 0 0 0 1 11 1 1 0 0 0 2 12 1 1 0 0 0 13 10 1 0 0 0 0 10 14 2 0 0 0 0 3 15 1 1 0 0 0 16 15 1 6 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 16 1 0 0 0 0 20 22 1 6 0 0 0 18 23 1 6 0 0 0 17 24 1 1 0 0 0 19 25 1 1 0 0 0 22 26 1 0 0 0 0 9 27 1 1 0 0 0 13 28 1 0 0 0 0 7 29 2 0 0 0 0 M END > CFN98160 > Cornin > 548-37-8 > 98% > C17H24O10 > 388.37 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Cornin-CFN98160.html $$$$ -ISIS- 10201511232D 32 35 0 0 0 0 0 0 0 0999 V2000 6.0333 -5.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0333 -6.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8208 -7.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -6.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -5.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8208 -5.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3875 -7.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1750 -6.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1750 -5.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3875 -5.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9583 -5.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7417 -5.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5292 -5.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5292 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7417 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9583 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3125 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3875 -8.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8208 -8.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -5.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -7.2958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4667 -6.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6833 -7.2958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6833 -8.2042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4667 -8.6542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2500 -8.2042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4667 -9.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8958 -6.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0333 -8.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 -7.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8958 -8.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3125 -5.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 7 18 2 0 0 0 0 3 19 1 0 0 0 0 1 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 2 1 1 0 0 0 25 27 1 1 0 0 0 23 28 1 1 0 0 0 26 29 1 6 0 0 0 28 30 1 0 0 0 0 24 31 1 6 0 0 0 13 32 1 0 0 0 0 M END > CFN98137 > Luteolin-6-C-glucoside > 4261-42-1 > 98% > C21H20O11 > 448.38 > Yellow cryst. > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Luteolin-6-C-glucoside-CFN98137.html $$$$ -ISIS- 10201511232D 14 14 0 0 0 0 0 0 0 0999 V2000 4.5417 -7.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -8.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -8.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 -8.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 -7.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -6.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9333 -6.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -7.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5250 -6.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3250 -7.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5250 -5.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -8.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -6.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9458 -8.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 7 2 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 9 11 2 0 0 0 0 2 12 1 0 0 0 0 1 13 1 0 0 0 0 12 14 1 0 0 0 0 M END > CFN98282 > Isoferulic acid > 25522-33-2 > 98% > C10H10O4 > 194.2 > Powder > Phenylpropanoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Isoferulic-acid-CFN98282.html $$$$ -ISIS- 10201511232D 11 11 0 0 0 0 0 0 0 0999 V2000 2.3083 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3083 -5.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -6.0333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9250 -5.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9250 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -4.1708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1167 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -6.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 -7.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 -7.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 6 7 1 1 0 0 0 4 8 1 1 0 0 0 3 9 1 6 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 M END > CFN98126 > Isopulegol > 7786-67-6 > 98% > C10H18O > 154.25 > Oil > Monoterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Isopulegol-CFN98126.html $$$$ -ISIS- 10201511232D 40 41 0 0 0 0 0 0 0 0999 V2000 -3.8583 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8583 -6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1792 -7.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1792 -5.8000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8167 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4542 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9458 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0333 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7542 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4333 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8167 -7.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4542 -5.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -5.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1167 -6.1917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7958 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7958 -5.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1167 -4.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4333 -5.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7542 -4.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 -6.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7875 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5708 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5083 -6.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 7 2 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 13 12 1 0 0 0 0 14 13 2 0 0 0 0 15 14 1 0 0 0 0 16 15 2 0 0 0 0 17 16 1 0 0 0 0 18 17 2 0 0 0 0 19 18 1 0 0 0 0 20 19 2 0 0 0 0 21 20 1 0 0 0 0 22 21 2 0 0 0 0 23 22 1 0 0 0 0 24 23 2 0 0 0 0 4 26 1 0 0 0 0 9 27 1 0 0 0 0 13 28 1 0 0 0 0 18 29 1 0 0 0 0 22 30 1 0 0 0 0 25 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 25 2 0 0 0 0 35 36 1 0 0 0 0 25 24 1 0 0 0 0 31 37 1 6 0 0 0 6 38 1 6 0 0 0 6 39 1 1 0 0 0 31 40 1 1 0 0 0 M END > CFN98117 > Beta-Carotene > 7235-40-7 > 98% > C40H56 > 536.88 > Powder > Miscellaneous > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Carotene-CFN98117.html $$$$ -ISIS- 10201511232D 35 39 0 0 0 0 0 0 0 0999 V2000 3.6958 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6958 -7.5625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4958 -8.0250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2958 -7.5625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2958 -6.6417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4958 -6.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 -8.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -7.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 -6.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6875 -6.1833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6875 -5.2625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8875 -4.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 -6.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 -5.2625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4792 -4.8000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8958 -8.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0333 -8.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0792 -5.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6875 -7.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -8.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0792 -4.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0792 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 -3.4208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4792 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -8.4833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7417 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6625 -2.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 -1.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -5.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -5.7208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6875 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 17 21 1 1 0 0 0 11 22 1 1 0 0 0 3 23 1 6 0 0 0 17 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 18 1 0 0 0 0 4 28 1 6 0 0 0 26 29 1 1 0 0 0 2 19 1 1 0 0 0 26 30 1 6 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 5 33 1 1 0 0 0 18 34 1 1 0 0 0 12 35 1 6 0 0 0 M END > CFN98260 > Bryonolic acid > 24480-45-3 > 98% > C30H48O3 > 456.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Bryonolic-acid-CFN98260.html $$$$ -ISIS- 10201511232D 21 22 0 0 0 0 0 0 0 0999 V2000 2.7333 -2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7333 -3.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -4.4542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3417 -4.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7375 -3.4292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3417 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2458 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5833 -5.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -5.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2083 -5.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8083 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -6.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -3.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1083 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0208 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -1.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 2 2 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 1 2 0 0 0 0 10 11 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 7 15 1 1 0 0 0 15 16 2 0 0 0 0 14 17 2 0 0 0 0 8 18 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 M END > CFN98252 > Epitulipinolide > 24164-13-4 > 98% > C17H22O4 > 290.4 > Powder > Sesquiterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Epitulipinolide-CFN98252.html $$$$ -ISIS- 10201511232D 42 47 0 0 0 0 0 0 0 0999 V2000 2.7833 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7833 -7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0583 -8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0583 -6.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0875 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0875 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6083 -8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3708 -7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3708 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6083 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1250 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1250 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3708 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6083 -5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3708 -4.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1250 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1250 -3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3708 -2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6083 -3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6083 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0583 -9.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8833 -7.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -9.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1250 -8.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -6.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -5.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3708 -1.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0875 -8.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1250 -1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 13 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 17 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 22 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 7 33 2 0 0 0 0 23 34 2 0 0 0 0 3 35 1 0 0 0 0 20 36 1 0 0 0 0 1 37 1 0 0 0 0 14 38 1 0 0 0 0 30 39 1 0 0 0 0 18 40 1 0 0 0 0 39 41 1 0 0 0 0 37 42 1 0 0 0 0 M END > CFN98246 > Putraflavone > 23624-21-7 > 98% > C32H22O10 > 566.5 > Yellow powder > Flavonoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Putraflavone-CFN98246.html $$$$ -ISIS- 10201511232D 38 43 0 0 0 0 0 0 0 0999 V2000 3.1000 -3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -4.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -4.8625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2083 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2083 -3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -4.8625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7583 -4.4167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7583 -3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -5.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7583 -6.2083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5375 -5.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 -4.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7583 -7.1042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5375 -7.5542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3167 -7.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3167 -6.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -6.6583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -7.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2083 -5.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 -8.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3167 -4.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7583 -8.9000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2083 -7.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -8.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2083 -8.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2083 -9.7958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9792 -10.2458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7583 -9.7958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9792 -11.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -8.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 -10.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -10.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -8.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 9 1 0 0 0 0 10 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 11 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 16 2 0 0 0 0 10 24 1 1 0 0 0 18 23 1 6 0 0 0 19 25 1 1 0 0 0 17 26 2 0 0 0 0 15 22 1 1 0 0 0 23 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 27 1 0 0 0 0 27 25 1 1 0 0 0 32 34 1 1 0 0 0 30 35 1 1 0 0 0 33 36 1 6 0 0 0 31 37 1 6 0 0 0 35 38 1 0 0 0 0 M END > CFN98238 > Vincosamide > 23141-27-7 > 98% > C26H30N2O8 > 498.5 > Powder > Alkaloids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Vincosamide-CFN98238.html $$$$ -ISIS- 10201511232D 56 63 0 0 0 0 0 0 0 0999 V2000 0.5750 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0958 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0958 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1333 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -5.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1333 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1333 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0958 -3.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 -2.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1333 -6.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -5.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -4.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6958 -3.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6958 -4.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1208 -0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1208 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1583 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1583 -0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -1.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5583 -7.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5583 -7.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -8.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 -7.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 -7.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -7.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 -7.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 -8.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -8.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1958 -7.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -3.5125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9042 -4.1125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4208 -4.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9417 -4.1125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9417 -3.5125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4208 -3.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4208 -5.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4583 -3.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3833 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3833 -4.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4583 -4.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -3.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7583 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0583 -1.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -7.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 6 1 0 0 0 0 9 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 11 2 0 0 0 0 12 17 2 0 0 0 0 7 18 2 0 0 0 0 2 19 1 0 0 0 0 1 20 1 0 0 0 0 15 21 1 0 0 0 0 14 22 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 28 30 1 0 0 0 0 24 31 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 32 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 36 41 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 42 1 0 0 0 0 44 48 1 1 0 0 0 46 49 1 0 0 0 0 42 50 1 1 0 0 0 43 51 1 6 0 0 0 45 52 1 6 0 0 0 50 53 1 0 0 0 0 26 54 1 0 0 0 0 54 55 2 0 0 0 0 54 53 1 0 0 0 0 41 56 2 0 0 0 0 41 51 1 0 0 0 0 25 16 1 0 0 0 0 3 37 1 0 0 0 0 M END > CFN98113 > Punicalin > 65995-64-4 > 98% > C34H22O22 > 782.52 > Powder > Phenols > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Punicalin-CFN98113.html $$$$ -ISIS- 10201511232D 13 14 0 0 0 0 0 0 0 0999 V2000 0.0000 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7833 -7.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7833 -5.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -7.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -5.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -6.1417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6750 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -5.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 M END > CFN98111 > Gramine > 87-52-5 > 98% > C11H14N2 > 174.25 > Cryst. > Alkaloids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Gramine-CFN98111.html $$$$ -ISIS- 10201511232D 18 19 0 0 0 0 0 0 0 0999 V2000 4.7417 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -7.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -7.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -7.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -5.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -7.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -7.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -5.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -5.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 -5.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4333 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 -5.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 -7.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -5.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -7.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -7.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 10 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 8 15 1 0 0 0 0 6 16 1 0 0 0 0 2 17 1 0 0 0 0 17 18 1 0 0 0 0 M END > CFN98224 > Torachrysone > 22649-04-3 > 98% > C14H14O4 > 246.3 > Yellow powder > Phenols > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Torachrysone-CFN98224.html $$$$ -ISIS- 10201511232D 19 18 0 0 0 0 0 0 0 0999 V2000 2.3542 -7.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1333 -7.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -7.9958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6917 -7.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -8.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 -7.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -6.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -6.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8083 -5.7458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5875 -6.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 -6.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8083 -4.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2667 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0458 -6.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0458 -7.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2667 -7.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 -7.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7083 -7.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -7.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 4 6 3 0 0 0 0 6 7 1 0 0 0 0 7 8 3 0 0 0 0 8 9 1 0 0 0 0 10 9 1 0 0 0 0 10 11 2 0 0 0 0 11 13 1 0 0 0 0 14 13 1 0 0 0 0 3 5 1 6 0 0 0 9 12 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 M END > CFN98220 > Falcarindiol > 225110-25-8 > 98% > C17H24O2 > 260.4 > Oil > Lipids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Falcarindiol-CFN98220.html $$$$ -ISIS- 10201511232D 58 65 0 0 0 0 0 0 0 0999 V2000 5.6167 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -6.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3667 -7.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1167 -6.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1167 -5.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3667 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -7.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -6.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -5.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8583 -5.4000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3583 -5.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3583 -4.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6083 -4.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0958 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8458 -5.4000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8458 -4.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0958 -4.1083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8667 -7.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9333 -7.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5958 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3583 -6.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 -7.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5958 -4.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5958 -3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8458 -2.8125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0958 -3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4125 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2750 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -7.5583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -6.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -6.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1292 -5.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -5.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6375 -5.8333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6375 -6.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3875 -7.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3875 -7.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -7.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -5.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -6.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1500 -5.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -5.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3500 -5.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3500 -6.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4000 -7.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0917 -7.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0917 -5.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -7.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1000 -4.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -3.6750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5875 -5.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6583 -7.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -4.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 2 19 1 1 0 0 0 34 19 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 39 40 1 6 0 0 0 38 41 1 1 0 0 0 37 42 1 1 0 0 0 36 43 1 1 0 0 0 44 41 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 44 1 0 0 0 0 48 50 1 1 0 0 0 47 51 1 6 0 0 0 49 52 1 6 0 0 0 12 53 1 1 0 0 0 53 23 1 1 0 0 0 18 54 1 1 0 0 0 16 55 1 6 0 0 0 25 56 1 0 0 0 0 46 57 1 1 0 0 0 57 58 1 0 0 0 0 M END > CFN99989 > Saikosaponin D > 20874-52-6 > 98% > C42H68O13 > 780.99 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Saikosaponian-D-CFN99989.html $$$$ -ISIS- 10201511232D 19 20 0 0 0 0 0 0 0 0999 V2000 3.9542 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -4.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -5.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -5.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -6.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -6.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -7.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 -7.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -6.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 -6.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -4.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -6.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -4.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4333 -4.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 4 2 0 0 0 0 7 6 1 0 0 0 0 8 7 2 0 0 0 0 9 8 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 5 15 2 0 0 0 0 3 16 2 0 0 0 0 6 17 1 0 0 0 0 1 18 1 0 0 0 0 18 19 1 0 0 0 0 M END > CFN98011 > Lucidone > 19956-53-7 > 98% > C15H12O4 > 256.3 > Yellow powder > Chalcones > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Lucidone-CFN98011.html $$$$ -ISIS- 10201511232D 16 17 0 0 0 0 0 0 0 0999 V2000 4.4292 -5.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -5.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -6.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -5.2708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9500 -4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 -6.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5083 -5.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5083 -5.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 -4.9750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9500 -6.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 -6.7708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9875 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -4.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -6.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 -7.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5708 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 4 1 0 0 0 0 3 10 1 0 0 0 0 6 11 1 0 0 0 0 10 11 1 0 0 0 0 9 12 1 1 0 0 0 9 13 1 6 0 0 0 4 13 1 1 0 0 0 2 14 1 0 0 0 0 11 15 1 1 0 0 0 11 16 1 6 0 0 0 M END > CFN98008 > Humulene epoxide II > 19888-34-7 > 98% > C15H24O > 220.4 > Oil > Sesquiterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Humulene-epoxide-II-CFN98008.html $$$$ -ISIS- 10201511232D 33 36 0 0 0 0 0 0 0 0999 V2000 3.1250 -9.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -10.0250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8875 -10.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -10.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -9.1417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8875 -8.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4208 -10.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 -10.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 -9.1417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4208 -8.7000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9500 -8.7000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9500 -7.8167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1875 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4208 -7.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -7.3750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4833 -7.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4833 -8.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -6.4917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9500 -6.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4833 -6.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2458 -6.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0125 -6.0458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7792 -6.4917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5458 -6.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7792 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -8.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9500 -6.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3583 -10.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4208 -9.5833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9500 -9.5833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 -8.2583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0125 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7792 -4.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 15 12 1 0 0 0 0 16 15 1 0 0 0 0 16 17 1 0 0 0 0 11 17 1 0 0 0 0 18 19 1 6 0 0 0 20 18 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 23 25 1 0 0 0 0 5 26 1 1 0 0 0 12 27 1 1 0 0 0 2 28 1 1 0 0 0 10 29 1 6 0 0 0 11 30 1 6 0 0 0 15 18 1 1 0 0 0 9 31 1 1 0 0 0 22 32 1 1 0 0 0 32 33 1 0 0 0 0 M END > CFN99916 > Beta-Sitosterol > 83-46-5 > 98% > C29H50O > 414.69 > Cryst. > Steroids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Sitosterol-CFN99916.html $$$$ -ISIS- 10201511232D 33 36 0 0 0 0 0 0 0 0999 V2000 3.9708 -6.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9708 -7.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5708 -7.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5708 -6.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -5.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 -7.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 -6.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -5.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -5.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7792 -6.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5833 -5.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5833 -4.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7792 -4.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -4.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3792 -4.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -7.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -8.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -8.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -5.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -8.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1708 -8.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 -9.8625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9750 -10.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7792 -9.8625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7792 -8.9375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5833 -10.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -10.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5833 -8.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -11.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7792 -3.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3792 -6.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 8 18 1 0 0 0 0 7 19 2 0 0 0 0 3 20 1 0 0 0 0 1 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 18 1 1 0 0 0 26 28 1 6 0 0 0 24 29 1 6 0 0 0 27 30 1 6 0 0 0 25 31 1 1 0 0 0 15 32 1 0 0 0 0 13 33 1 0 0 0 0 M END > CFN99840 > Myricitrin > 17912-87-7 > 98% > C21H20O12 > 464.4 > Yellow powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Myricitrin-CFN99840.html $$$$ -ISIS- 10201511232D 20 21 0 0 0 0 0 0 0 0999 V2000 3.7500 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -4.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -5.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -4.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -5.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 -4.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -5.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7083 -4.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5333 -5.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3583 -4.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3583 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5333 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7083 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -3.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1833 -3.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7083 -5.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 7 2 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 9 16 1 0 0 0 0 16 17 2 0 0 0 0 1 18 1 0 0 0 0 13 19 1 0 0 0 0 9 20 1 6 0 0 0 M END > CFN99834 > trans-Hinokiresinol > 17676-24-3 > 98% > C17H16O2 > 252.3 > Powder > Lignans > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/trans-Hinokiresinol-CFN99834.html $$$$ -ISIS- 10201511232D 14 14 0 0 0 0 0 0 0 0999 V2000 4.4583 -7.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4583 -8.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -8.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0708 -8.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0708 -7.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -6.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -8.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8708 -8.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8708 -6.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6750 -7.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4875 -6.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2875 -7.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4875 -5.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0917 -6.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 1 0 0 0 0 M END > CFN99823 > Methyl 3-(2,4-dihydroxyphenyl)propionate > 17422-90-1 > 98% > C10H12O4 > 196.2 > Oil > Phenylpropanoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Methyl-3-2-4-dihydroxyphenyl-propionate-CFN99823.html $$$$ -ISIS- 10201511232D 41 45 0 0 0 0 0 0 0 0999 V2000 5.0042 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7958 -7.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7958 -5.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3750 -7.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3750 -5.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9583 -5.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7458 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5375 -5.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5375 -4.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7458 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9583 -4.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -5.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7958 -8.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3750 -8.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3292 -4.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -5.1042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4250 -4.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6333 -3.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8417 -4.1917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8417 -5.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6333 -5.5583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0542 -5.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6333 -2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -2.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6333 -6.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -3.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -6.9292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0542 -6.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2625 -6.9292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2625 -7.8417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0542 -8.2958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8417 -7.8417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5292 -8.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6333 -8.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -9.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5292 -6.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 1 17 1 0 0 0 0 3 18 1 0 0 0 0 7 19 2 0 0 0 0 14 20 1 0 0 0 0 9 11 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 17 1 1 0 0 0 25 27 1 1 0 0 0 23 28 1 1 0 0 0 28 29 1 0 0 0 0 26 30 1 6 0 0 0 24 31 1 6 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 32 30 1 1 0 0 0 35 38 1 1 0 0 0 37 39 1 6 0 0 0 36 40 1 6 0 0 0 34 41 1 6 0 0 0 M END > CFN99814 > Rhoifolin > 17306-46-6 > 98% > C27H30O14 > 578.5 > Yellow powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Rhoifolin-CFN99814.html $$$$ -ISIS- 10201511232D 34 38 0 0 0 0 0 0 0 0999 V2000 3.9208 -8.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 -9.2333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7167 -9.6917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5083 -9.2333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5083 -8.3167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7167 -7.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 -9.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0958 -9.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0958 -8.3167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3000 -7.8583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8875 -7.8583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8875 -6.9417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0958 -6.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 -6.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6833 -8.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4750 -7.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4750 -6.9417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6833 -6.4833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2708 -6.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2708 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4750 -5.1083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6833 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 -9.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9333 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0167 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2708 -7.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 -8.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 -8.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5083 -10.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6833 -7.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5083 -7.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0958 -7.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 18 1 0 0 0 0 12 24 1 6 0 0 0 21 25 1 6 0 0 0 21 26 1 1 0 0 0 17 27 1 1 0 0 0 11 28 1 1 0 0 0 10 29 1 1 0 0 0 4 30 1 1 0 0 0 3 31 1 1 0 0 0 18 32 1 1 0 0 0 5 33 1 6 0 0 0 9 34 1 6 0 0 0 2 23 1 1 0 0 0 M END > CFN99806 > Epifriedelanol > 16844-71-6 > 98% > C30H52O > 428.7 > Cryst. > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Epifriedelanol-CFN99806.html $$$$ -ISIS- 10201511232D 44 48 0 0 0 0 0 0 0 0999 V2000 3.9708 -6.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9708 -7.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5708 -7.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5708 -6.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -5.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 -7.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 -6.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -5.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -5.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7792 -6.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5833 -5.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5833 -4.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7792 -4.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -4.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3792 -4.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -7.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -8.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -8.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -5.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -8.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1708 -8.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 -9.8625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9750 -10.3250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7792 -9.8625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7792 -8.9375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5833 -10.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -10.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5833 -8.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -11.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7792 -3.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -9.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7708 -10.3292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9708 -9.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -10.3292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1667 -11.2542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9708 -11.7167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7708 -11.2542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3667 -11.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -9.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9708 -12.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5708 -11.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5833 -2.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 8 18 1 0 0 0 0 7 19 2 0 0 0 0 3 20 1 0 0 0 0 1 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 18 1 1 0 0 0 26 28 1 1 0 0 0 24 29 1 1 0 0 0 27 30 1 6 0 0 0 25 31 1 6 0 0 0 15 32 1 0 0 0 0 29 33 1 0 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 37 40 1 1 0 0 0 36 41 1 6 0 0 0 38 42 1 6 0 0 0 39 43 1 6 0 0 0 32 44 1 0 0 0 0 M END > CFN99773 > Narcissoside > 604-80-8 > 98% > C28H32O16 > 624.54 > Yellow powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Narcissoside-CFN99773.html $$$$ -ISIS- 10201511232D 33 36 0 0 0 0 0 0 0 0999 V2000 6.1250 -5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9208 -6.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 -5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9208 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5250 -6.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3208 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3208 -5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5250 -4.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1250 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7292 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7292 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1250 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5250 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5250 -7.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9208 -7.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3208 -4.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1250 -6.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -5.1125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7250 -4.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -5.1125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9292 -6.0375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7250 -6.4875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5250 -6.0375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1292 -6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -7.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3208 -6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -5.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5292 -5.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 7 18 2 0 0 0 0 3 19 1 0 0 0 0 1 20 1 0 0 0 0 8 21 1 0 0 0 0 22 20 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 25 28 1 6 0 0 0 24 29 1 1 0 0 0 26 30 1 1 0 0 0 27 31 1 6 0 0 0 29 32 1 0 0 0 0 13 33 1 0 0 0 0 M END > CFN99771 > Quercetin-7-O-beta-D-glucopyranoside > 491-50-9 > 98% > C21H20O12 > 464.38 > Yellow powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Quercetin-7-O-D-glucopyranoside-CFN99771.html $$$$ -ISIS- 10201511232D 68 75 0 0 0 0 0 0 0 0999 V2000 0.6500 -7.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -8.2167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3083 -8.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9667 -8.2167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9667 -7.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3083 -7.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -8.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2708 -8.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2708 -7.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6167 -7.0833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9292 -7.0833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9292 -6.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2708 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -6.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -7.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -7.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -6.3333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5792 -5.9542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0083 -8.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -9.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -6.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2708 -6.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -6.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -7.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 -9.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -5.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -4.8167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5792 -5.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -7.8417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -8.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5458 -6.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -7.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 -8.2167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6625 -7.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -7.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9792 -7.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9792 -8.2167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3208 -8.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2042 -6.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2250 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8917 -7.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5375 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5375 -6.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8917 -6.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1917 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8958 -8.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 -7.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 -8.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -9.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -7.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1917 -7.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8458 -6.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5042 -6.3292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1625 -6.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8208 -6.3292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8208 -5.5708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1625 -5.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5042 -5.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4750 -6.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1625 -4.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8500 -5.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4750 -5.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1333 -6.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -6.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4458 -9.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 10 30 1 6 0 0 0 4 31 1 6 0 0 0 23 32 1 0 0 0 0 23 33 2 0 0 0 0 2 19 1 1 0 0 0 34 19 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 40 32 1 6 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 40 1 0 0 0 0 44 46 1 6 0 0 0 42 47 1 6 0 0 0 37 48 1 1 0 0 0 38 49 1 1 0 0 0 39 50 1 6 0 0 0 41 51 1 1 0 0 0 43 52 1 1 0 0 0 46 53 1 0 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 54 1 0 0 0 0 56 60 1 1 0 0 0 58 61 1 1 0 0 0 59 62 1 6 0 0 0 57 63 1 6 0 0 0 60 64 1 0 0 0 0 18 65 1 1 0 0 0 28 66 1 1 0 0 0 28 67 1 6 0 0 0 25 68 1 0 0 0 0 M END > CFN99766 > Asperosaponin VI > 39524-08-8 > 98% > C47H76O18 > 929.10 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Asperosaponin-CFN99766.html $$$$ -ISIS- 10201511232D 32 35 0 0 0 0 0 0 0 0999 V2000 6.1250 -5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9208 -6.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 -5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9208 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5250 -6.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3208 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3208 -5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5250 -4.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1250 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7292 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7292 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1250 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5250 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5250 -7.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9208 -7.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3208 -4.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1250 -6.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -5.1125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7250 -4.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -5.1125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9292 -6.0375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7250 -6.4875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5250 -6.0375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1292 -6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -7.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3208 -6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9208 -3.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 7 18 2 0 0 0 0 3 19 1 0 0 0 0 1 20 1 0 0 0 0 8 21 1 0 0 0 0 22 20 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 25 28 1 1 0 0 0 24 29 1 6 0 0 0 26 30 1 6 0 0 0 27 31 1 6 0 0 0 6 32 1 0 0 0 0 M END > CFN99758 > Rhodionin > 85571-15-9 > 98% > C21H20O11 > 448.38 > Yellow powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Rhodionin-CFN99758.html $$$$ -ISIS- 10201511232D 16 16 0 0 0 0 0 0 0 0999 V2000 4.3958 -6.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -7.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -8.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 -7.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9875 -6.7292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1875 -6.2750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7833 -8.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7792 -6.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 -6.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3708 -6.2708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1708 -6.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3708 -5.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -8.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7833 -7.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 4 7 1 6 0 0 0 5 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 6 0 0 0 6 13 1 1 0 0 0 6 14 1 6 0 0 0 2 15 2 0 0 0 0 5 16 1 6 0 0 0 M END > CFN99657 > 4,5-Dihydroblumenol A > 155418-97-6 > 98% > C13H22O3 > 226.3 > Powder > Sesquiterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/4-5-Dihydroblumenol-A-CFN99657.html $$$$ -ISIS- 10201511232D 44 48 0 0 0 0 0 0 0 0999 V2000 5.0292 -8.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -9.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -10.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6208 -9.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6208 -8.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -8.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -10.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 -9.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 -8.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -8.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0125 -8.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8042 -8.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6042 -8.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6042 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8042 -7.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0125 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -11.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3958 -7.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -11.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -8.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -7.5167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0292 -7.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -6.1417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2375 -5.6792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4417 -6.1417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4417 -7.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6417 -7.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -5.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -4.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6208 -6.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -5.6792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2167 -6.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0125 -5.6792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0125 -4.7625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2167 -4.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4167 -4.7625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6208 -4.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 -3.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8042 -4.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8042 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1917 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -10.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -9.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 3 17 1 0 0 0 0 14 18 1 0 0 0 0 7 19 2 0 0 0 0 1 20 1 0 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 26 27 1 6 0 0 0 25 28 1 1 0 0 0 24 29 1 6 0 0 0 23 30 1 1 0 0 0 30 31 1 0 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 37 38 1 6 0 0 0 36 39 1 6 0 0 0 35 40 1 1 0 0 0 34 41 1 6 0 0 0 18 42 1 0 0 0 0 2 43 1 0 0 0 0 43 44 1 0 0 0 0 M END > CFN99727 > Pectolinarin > 28978-02-1 > 98% > C29H34O15 > 622.57 > Yellow powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Pectolinarin-CFN99727.html $$$$ -ISIS- 10201511232D 42 46 0 0 0 0 0 0 0 0999 V2000 4.9083 -14.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 -15.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 -15.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -15.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -14.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -15.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0042 -15.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0042 -14.2917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2292 -13.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7833 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5500 -14.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3250 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3250 -12.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5500 -12.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7833 -12.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 -16.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0958 -12.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -16.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -13.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -12.9583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9083 -12.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 -11.6167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1417 -11.1708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3667 -11.6167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3667 -12.5083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5917 -12.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -11.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -10.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 -11.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -11.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -11.1708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0042 -11.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7833 -11.1708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7833 -10.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0042 -9.8292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2292 -10.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4542 -9.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0042 -8.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5500 -9.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5500 -11.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1000 -14.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 3 17 1 0 0 0 0 14 18 1 0 0 0 0 7 19 2 0 0 0 0 1 20 1 0 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 26 27 1 6 0 0 0 25 28 1 1 0 0 0 24 29 1 6 0 0 0 23 30 1 1 0 0 0 30 31 1 0 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 37 38 1 6 0 0 0 36 39 1 6 0 0 0 35 40 1 1 0 0 0 34 41 1 6 0 0 0 9 11 1 6 0 0 0 13 42 1 0 0 0 0 M END > CFN99718 > Eriocitrin > 13463-28-0 > 98% > C27H32O15 > 596.53 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Eriocitrin-CFN99718.html $$$$ -ISIS- 10201511232D 28 32 0 0 0 0 0 0 0 0999 V2000 4.9417 -5.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -6.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5125 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5125 -5.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -7.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -8.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -8.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -9.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5125 -8.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5125 -8.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -6.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -7.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -8.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2042 -6.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2042 -7.6000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9875 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9875 -8.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3708 -8.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3708 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -3.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -4.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -9.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -10.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -10.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 2 13 1 0 0 0 0 8 14 1 0 0 0 0 5 4 1 1 0 0 0 8 9 1 1 0 0 0 7 8 2 0 0 0 0 10 9 2 0 0 0 0 6 5 2 0 0 0 0 3 4 2 0 0 0 0 4 15 1 0 0 0 0 12 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 6 0 0 0 18 20 1 6 0 0 0 14 21 1 0 0 0 0 13 22 1 0 0 0 0 6 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 1 1 0 0 0 0 9 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 10 1 0 0 0 0 M END > CFN99708 > Schisandrin C > 61301-33-5 > 98% > C22H24O6 > 384.42 > Cryst. > Lignans > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Schisandrin-C-CFN99708.html $$$$ -ISIS- 10201511232D 39 42 0 0 0 0 0 0 0 0999 V2000 1.2125 -6.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -7.0417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0000 -7.4958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7875 -7.0417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7875 -6.1333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0000 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5708 -7.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -6.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5708 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1458 -5.6792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1458 -4.7667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3583 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5708 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9333 -4.3125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7208 -4.7667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7208 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1458 -3.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -5.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1458 -6.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -7.9500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9333 -3.4042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1458 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5083 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0833 -3.4042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8708 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0833 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5458 -8.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -8.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -7.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -3.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1458 -2.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5083 -4.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -7.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -6.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 15 12 1 0 0 0 0 16 15 1 0 0 0 0 16 17 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 1 0 0 0 5 19 1 1 0 0 0 11 20 1 6 0 0 0 4 21 1 6 0 0 0 15 22 1 1 0 0 0 22 23 1 6 0 0 0 24 22 1 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 27 29 1 0 0 0 0 3 30 1 1 0 0 0 3 31 1 6 0 0 0 2 32 1 1 0 0 0 26 33 2 0 0 0 0 23 34 2 0 0 0 0 23 35 1 0 0 0 0 16 36 1 6 0 0 0 32 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 M END > CFN99590 > Pachymic acid > 29070-92-6 > 98% > C33H52O5 > 528.76 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Pachymic-acid-CFN99590.html $$$$ -ISIS- 10201511232D 26 28 0 0 0 0 0 0 0 0999 V2000 3.4667 -5.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -6.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5083 -6.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5083 -5.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5458 -6.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5458 -5.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -5.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -7.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5833 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -4.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5833 -4.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -4.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 -4.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -5.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 -5.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -7.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -6.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4333 -6.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -6.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 -6.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -5.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 11 1 0 0 0 0 15 18 1 0 0 0 0 1 19 1 0 0 0 0 14 20 1 0 0 0 0 3 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 8 24 1 0 0 0 0 24 25 1 0 0 0 0 19 26 1 0 0 0 0 M END > CFN99622 > Chrysosplenol D > 14965-20-9 > 98% > C18H16O8 > 360.3 > Yellow powder > Flavonoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Chrysosplenol-D-CFN99622.html $$$$ -ISIS- 10201511232D 25 26 0 0 0 0 0 0 0 0999 V2000 -0.5208 -3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 -3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 -3.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4458 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6708 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 -3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6708 -3.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2583 -3.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1500 -3.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -5.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6708 -5.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 -6.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1500 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6292 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3708 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6292 -5.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 7 1 0 0 0 0 9 8 2 0 0 0 0 10 9 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 1 16 1 0 0 0 0 13 17 1 0 0 0 0 7 18 2 0 0 0 0 11 19 1 0 0 0 0 19 20 1 0 0 0 0 12 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 M END > CFN99577 > Licochalcone C > 144506-14-9 > 98% > C21H22O4 > 338.40 > Yellow powder > Chalcones > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Licochalcone-C-CFN99577.html $$$$ -ISIS- 10201511232D 43 48 0 0 0 0 0 0 0 0999 V2000 -3.7375 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7375 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1542 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1542 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5708 0.4125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3625 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5958 2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5292 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -1.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -0.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 3.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 -4.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3417 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3417 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -4.2083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2417 -3.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2417 -2.8375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5500 -2.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4083 -1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7167 -2.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 -5.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -4.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -0.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -5.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 0 0 0 0 15 21 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 32 1 0 0 0 0 35 38 1 0 0 0 0 22 39 1 0 0 0 0 24 40 1 0 0 0 0 29 41 1 0 0 0 0 36 42 1 0 0 0 0 28 43 1 0 0 0 0 20 30 1 0 0 0 0 M END > CFN99556 > Proanthocyanidins > 4852-22-6 > 98% > C30H26O13 > 594.52 > Red brown powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Proanthocyanidins-CFN99556.html $$$$ -ISIS- 10201511232D 41 45 0 0 0 0 0 0 0 0999 V2000 3.3458 -12.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3458 -13.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -13.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -13.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -12.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -11.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -13.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -13.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -12.2292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6667 -11.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2208 -11.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9875 -12.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7625 -11.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7625 -10.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9875 -10.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2208 -10.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -14.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5333 -10.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -14.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -11.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -10.8958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3458 -10.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3458 -9.5542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5792 -9.1083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8042 -9.5542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8042 -10.4458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0292 -10.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -9.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -8.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -9.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -9.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -11.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2542 -12.2333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2542 -13.1292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0292 -13.5750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8000 -13.1292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8000 -12.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -13.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 -11.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 -13.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -14.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 3 17 1 0 0 0 0 14 18 1 0 0 0 0 7 19 2 0 0 0 0 1 20 1 0 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 26 27 1 6 0 0 0 25 28 1 1 0 0 0 24 29 1 6 0 0 0 23 30 1 1 0 0 0 30 31 1 0 0 0 0 9 11 1 6 0 0 0 32 27 1 6 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 36 38 1 1 0 0 0 33 39 1 1 0 0 0 34 40 1 1 0 0 0 35 41 1 6 0 0 0 M END > CFN99555 > Naringin > 10236-47-2 > 98% > C27H32O14 > 580.53 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Naringin-CFN99555.html $$$$ -ISIS- 10201511232D 11 12 0 0 0 0 0 0 0 0999 V2000 4.6750 -5.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -6.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -7.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3375 -6.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3375 -5.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -7.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9958 -6.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9958 -5.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8250 -7.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 M END > CFN99552 > Coumarin > 91-64-5 > 98% > C9H6O2 > 146.15 > White cryst. > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Coumarin-CFN99552.html $$$$ -ISIS- 10201511232D 29 31 0 0 0 0 0 0 0 0999 V2000 4.7250 -4.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -6.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -4.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8708 -5.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8708 -4.7458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0792 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8708 -3.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7292 -5.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2583 -5.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7292 -4.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -6.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8708 -6.5583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -7.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -8.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -8.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8708 -8.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8708 -7.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -9.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 -8.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 -9.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0083 -6.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -4.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -6.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -4.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 8 10 1 6 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 8 1 0 0 0 0 7 14 1 0 0 0 0 14 15 1 0 0 0 0 7 16 1 1 0 0 0 15 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 15 1 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 11 25 2 0 0 0 0 1 26 1 0 0 0 0 2 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 M END > CFN99534 > Arctigenin > 7770-78-7 > 98% > C21H24O6 > 372.41 > Powder > Lignans > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Arctigenin-CFN99534.html $$$$ -ISIS- 10201511232D 8 8 0 0 0 0 0 0 0 0999 V2000 4.4708 -7.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 -7.9708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2833 -8.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -9.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -8.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6083 -9.1083 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0333 -7.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1583 -7.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 5 6 2 0 0 0 0 2 7 1 1 0 0 0 7 8 2 0 0 0 0 M END > CFN99521 > Epigoitrin > 1072-93-1 > 98% > C5H7NOS > 129.18 > Yellow cryst. > Miscellaneous > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Epigoitrin-CFN99521.html $$$$ -ISIS- 10201511232D 38 42 0 0 0 0 0 0 0 0999 V2000 3.1750 -6.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1750 -7.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6958 -7.3333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2125 -7.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2125 -6.4333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6958 -6.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -7.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.4333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7333 -6.1333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7708 -6.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7708 -5.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -5.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -6.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -6.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -5.5333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2917 -5.2333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -7.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3958 -7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -6.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 -7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -4.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -4.3333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2917 -4.6333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8125 -3.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -4.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -6.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -4.9333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -7.6333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -6.7333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7958 -7.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 -5.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -6.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 6 0 0 0 29 31 1 1 0 0 0 1 32 1 6 0 0 0 18 33 1 1 0 0 0 4 34 1 6 0 0 0 10 35 1 6 0 0 0 20 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 2 0 0 0 0 M END > CFN99481 > 2,24-Dihydroxyursolic acid > 143839-02-5 > 98% > C30H48O5 > 488.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/2-24-Dihydroxyursolic-acid-CFN99481.html $$$$ -ISIS- 10201511232D 20 21 0 0 0 0 0 0 0 0999 V2000 1.7208 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7208 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -4.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8958 -1.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6833 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5083 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3292 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3292 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5083 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6833 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1583 -1.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5125 -4.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3375 -4.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 1 10 1 0 0 0 0 11 8 2 0 0 0 0 12 11 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 15 18 1 0 0 0 0 13 19 1 0 0 0 0 19 20 1 0 0 0 0 M END > CFN99520 > Echinatin > 34221-41-5 > 98% > C16H14O4 > 270.28 > White powder > Chalcones > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Echinatin-CFN99520.html $$$$ -ISIS- 10201511232D 22 23 0 0 0 0 0 0 0 0999 V2000 7.4042 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2000 -6.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9958 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9958 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2000 -4.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6125 -4.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6125 -6.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7875 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5750 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3708 -6.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -6.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0417 -6.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -6.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2292 -7.6292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0417 -8.1125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8167 -7.6292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0417 -9.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4333 -6.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6458 -6.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6208 -8.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4333 -8.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 8 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 16 18 1 1 0 0 0 14 19 1 1 0 0 0 19 20 1 0 0 0 0 17 21 1 6 0 0 0 15 22 1 6 0 0 0 M END > CFN99465 > Cimidahurinine > 142542-89-0 > 98% > C14H20O8 > 316.3 > Oil > Phenols > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Cimidahurinine-CFN99465.html $$$$ -ISIS- 10201511232D 12 12 0 0 0 0 0 0 0 0999 V2000 2.3125 -11.8125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1083 -11.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -11.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6958 -11.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -11.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -11.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 -12.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3208 -12.9167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -12.7250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2833 -11.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -11.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2833 -10.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 1 1 0 0 0 0 5 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 M END > CFN99192 > Lipoic acid > 62-46-4 > 98% > C8H14O2S2 > 206.3 > Yellow cryst. > Miscellaneous > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Lipoic-acid-CFN99192.html $$$$ -ISIS- 10201511232D 11 11 0 0 0 0 0 0 0 0999 V2000 5.2208 -6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0583 -7.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0583 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5625 -6.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -7.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -4.9167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -5.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 2 9 1 0 0 0 0 7 10 1 0 0 0 0 1 11 1 0 0 0 0 M END > CFN99450 > 3,4-Dihydroxybenzaldehyde > 139-85-5 > 98% > C7H6O3 > 138.1 > Powder > Phenols > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/3-4-Dihydroxybenzaldehyde-CFN99450.html $$$$ -ISIS- 10201511232D 14 14 0 0 0 0 0 0 0 0999 V2000 3.2583 -8.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2583 -9.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -10.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -9.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -8.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -8.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -8.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4458 -8.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -8.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0417 -8.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -7.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -10.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -8.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 -9.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 7 2 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 9 11 2 0 0 0 0 2 12 1 0 0 0 0 1 13 1 0 0 0 0 12 14 1 0 0 0 0 M END > CFN99135 > 3-Hydroxy-4-methoxycinnamic acid > 537-73-5 > 98% > C10H10O4 > 194.18 > Powder > Phenylpropanoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/3-Hydroxy-4-methoxycinnamic-acid-CFN99135.html $$$$ -ISIS- 10201511232D 63 70 0 0 0 0 0 0 0 0999 V2000 0.6625 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 -6.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4333 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -6.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4333 -4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -6.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -6.0208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7458 -5.1292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9750 -4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -4.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4333 -3.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -6.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -3.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -3.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -7.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 -7.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0583 -7.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0583 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 -6.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0583 -3.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0583 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0583 -1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6000 -2.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6000 -3.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -7.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -8.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 -9.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -9.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4208 -8.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2708 -8.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 -10.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5458 -8.6625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7750 -8.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -9.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5458 -9.5542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2333 -8.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 -9.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2333 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 -8.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2333 -10.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -10.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -11.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9458 -11.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -11.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9458 -12.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -12.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -12.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -11.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -11.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2583 -11.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -13.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2583 -12.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -6.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -7.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 1 0 0 0 9 12 1 1 0 0 0 6 13 1 0 0 0 0 2 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 11 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 11 1 0 0 0 0 16 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 16 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 24 30 1 0 0 0 0 18 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 19 1 0 0 0 0 35 36 2 0 0 0 0 34 37 1 0 0 0 0 32 38 1 6 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 38 1 0 0 0 0 40 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 41 1 0 0 0 0 45 48 1 0 0 0 0 47 49 1 0 0 0 0 43 50 1 6 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 2 0 0 0 0 52 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 58 52 1 0 0 0 0 57 59 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 21 62 1 0 0 0 0 20 63 1 0 0 0 0 M END > CFN99130 > Theaflavin 3,3'-di-O-gallate > 30462-35-2 > 98% > C43H32O20 > 868.70 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/8-Gingerol-CFN99130.html $$$$ -ISIS- 10201511232D 25 26 0 0 0 0 0 0 0 0999 V2000 9.1708 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1708 -7.4083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9833 -7.8792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8000 -7.4083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8000 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9833 -5.9958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4542 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5125 -5.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9833 -4.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3917 -5.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6083 -7.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9833 -8.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 -7.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6958 -4.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6958 -3.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8833 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0708 -4.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -4.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -6.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -6.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -6.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 -6.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 -4.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 6 7 1 1 0 0 0 6 8 1 6 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 4 11 1 1 0 0 0 3 12 1 6 0 0 0 2 13 1 6 0 0 0 8 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 18 1 0 0 0 0 21 24 1 0 0 0 0 20 25 1 0 0 0 0 M END > CFN99121 > 1-Caffeoylquinic acid > 1241-87-8 > 98% > C16H18O9 > 354.31 > White powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/1-Caffeoylquinic-acid-CFN99121.html $$$$ -ISIS- 10201511232D 15 16 0 0 0 0 0 0 0 0999 V2000 7.5833 -4.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3792 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 -4.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3792 -4.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9750 -6.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7750 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7750 -4.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9750 -4.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5750 -6.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7833 -6.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7833 -4.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 -4.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3792 -7.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 12 2 1 0 0 0 0 1 13 1 0 0 0 0 13 14 1 0 0 0 0 3 15 1 0 0 0 0 M END > CFN99113 > Fraxetin > 574-84-5 > 98% > C10H8O5 > 208.17 > Cryst. > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Fraxetin-CFN99113.html $$$$ -ISIS- 10201511232D 13 13 0 0 0 0 0 0 0 0999 V2000 6.0125 -6.9333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9958 -6.9333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3000 -6.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5042 -5.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7083 -6.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8542 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -5.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7792 -5.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9958 -6.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9792 -6.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 -7.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5208 -7.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 5 6 1 1 0 0 0 6 7 1 0 0 0 0 3 8 1 1 0 0 0 8 9 1 0 0 0 0 3 10 1 6 0 0 0 10 11 1 0 0 0 0 2 12 1 1 0 0 0 1 13 1 6 0 0 0 M END > CFN99418 > Methyl beta-D-fructofuranoside > 13403-14-0 > 98% > C7H14O6 > 194.2 > Powder > Miscellaneous > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Methyl-beta-D-fructofuranoside-CFN99418.html $$$$ -ISIS- 10201511232D 21 23 0 0 0 0 0 0 0 0999 V2000 4.0083 -5.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0083 -6.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -6.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6583 -6.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6583 -5.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -4.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -6.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 -6.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 -5.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -4.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -6.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -7.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9500 -8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7750 -7.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7750 -6.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9500 -6.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -4.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -7.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6000 -8.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -6.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 -6.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 1 17 1 0 0 0 0 7 18 2 0 0 0 0 14 19 1 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 M END > CFN99106 > Glycitein > 40957-83-3 > 98% > C16H12O5 > 284.26 > Yellow Powder > Flavonoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Glycitein-CFN99106.html $$$$ -ISIS- 10201511232D 26 27 0 0 0 0 0 0 0 0999 V2000 5.1833 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5083 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -3.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3958 -5.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9708 -5.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3208 -7.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2500 -7.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9708 -6.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -8.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 -8.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7125 -8.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -9.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7125 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6417 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 -9.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6417 -8.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0375 -9.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 -10.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3208 -9.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 1 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 1 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 4 12 2 0 0 0 0 13 14 1 0 0 0 0 15 4 1 0 0 0 0 16 13 1 0 0 0 0 17 16 1 0 0 0 0 14 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 18 1 0 0 0 0 22 24 1 0 0 0 0 21 25 1 0 0 0 0 16 26 2 0 0 0 0 13 15 1 6 0 0 0 M END > CFN99103 > Rosmarinic acid > 20283-92-5 > 98% > C18H16O8 > 360.31 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Rosmarinic-acid-CFN99103.html $$$$ -ISIS- 10201511232D 25 27 0 0 0 0 0 0 0 0999 V2000 2.4708 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4708 -6.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -7.4292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0625 -6.9708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0625 -6.0542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2667 -5.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -7.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -6.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -5.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4458 -5.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4458 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8083 -8.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 -7.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -8.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -4.2125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2417 -3.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0375 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -3.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -5.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -3.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 10 1 0 0 0 0 3 15 1 1 0 0 0 5 16 1 1 0 0 0 4 17 1 6 0 0 0 3 18 1 6 0 0 0 12 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 13 22 1 0 0 0 0 16 23 2 0 0 0 0 16 24 1 0 0 0 0 14 25 1 0 0 0 0 M END > CFN99102 > Carnosic acid > 3650-09-7 > 98% > C20H28O4 > 332.43 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Carnosic-acid-CFN99102.html $$$$ -ISIS- 10201511232D 30 33 0 0 0 0 0 0 0 0999 V2000 6.7208 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -6.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5292 -6.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3375 -6.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3375 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5292 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1458 -6.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9542 -6.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9542 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1458 -4.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1458 -7.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7667 -6.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7667 -7.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5750 -8.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3833 -7.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3833 -6.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5750 -6.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1917 -8.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9083 -4.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -5.3583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2958 -4.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4833 -5.3583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4833 -6.2917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2958 -6.7583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1042 -6.2917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6750 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2958 -7.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -6.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -6.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -5.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 8 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 15 18 1 0 0 0 0 1 19 1 0 0 0 0 20 19 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 22 26 1 1 0 0 0 24 27 1 1 0 0 0 23 28 1 6 0 0 0 25 29 1 6 0 0 0 26 30 1 0 0 0 0 M END > CFN99101 > Daidzin > 552-66-9 > 98% > C21H20O9 > 416.38 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Daidzein-CFN99101.html $$$$ -ISIS- 10201511232D 27 29 0 0 0 0 0 0 0 0999 V2000 5.5083 -5.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5083 -6.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 -7.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -6.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -5.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8833 -7.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6750 -6.8625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6750 -5.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4667 -7.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4667 -8.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2583 -8.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0500 -8.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0500 -7.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2583 -6.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 -5.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1333 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8417 -8.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4667 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3458 -5.9500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 -8.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8417 -6.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6333 -7.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4667 -4.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5083 -8.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1333 -4.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 7 1 0 0 0 0 8 9 1 0 0 0 0 5 9 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 16 1 1 0 0 0 0 17 16 2 0 0 0 0 18 17 1 0 0 0 0 13 19 1 0 0 0 0 9 20 1 6 0 0 0 8 10 1 1 0 0 0 18 21 1 0 0 0 0 3 22 1 0 0 0 0 14 23 1 0 0 0 0 23 24 1 0 0 0 0 20 25 1 0 0 0 0 22 26 1 0 0 0 0 18 27 2 0 0 0 0 M END > CFN99295 > Balanophonin > 118916-57-7 > 98% > C20H20O6 > 356.4 > Powder > Lignans > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Balanophonin-CFN99295.html $$$$ -ISIS- 10201511232D 19 21 0 0 0 0 0 0 0 0999 V2000 3.2167 -6.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -6.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -5.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4458 -7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4458 -6.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -5.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -6.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -5.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -4.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -8.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -4.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8708 -5.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8708 -7.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 10 15 2 0 0 0 0 7 16 2 0 0 0 0 14 17 1 0 0 0 0 13 18 1 0 0 0 0 12 19 1 0 0 0 0 M END > CFN99270 > Rubiadin > 117-02-2 > 98% > C15H10O4 > 254.2 > Yellow powder > Anthraquinones > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Rubiadin-CFN99270.html $$$$ -ISIS- 10201511232D 36 40 0 0 0 0 0 0 0 0999 V2000 3.0833 -7.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0833 -8.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8708 -9.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6583 -8.6333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6583 -7.7250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8708 -7.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4458 -9.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 -8.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 -7.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4458 -7.2708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0167 -7.2708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0167 -6.3625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2333 -5.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4458 -6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 -5.9083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5917 -6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5917 -7.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 -5.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0167 -5.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6583 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 -8.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -9.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 -9.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -9.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 -4.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5917 -4.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3792 -5.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1667 -4.5458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9500 -5.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7375 -4.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9500 -5.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9500 -4.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3792 -5.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6583 -9.5417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4458 -8.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5917 -5.4542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 11 17 1 0 0 0 0 12 19 1 6 0 0 0 5 20 1 1 0 0 0 11 21 1 1 0 0 0 3 22 1 1 0 0 0 3 23 1 6 0 0 0 2 24 2 0 0 0 0 18 25 1 1 0 0 0 26 18 1 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 29 28 1 0 0 0 0 30 29 1 0 0 0 0 29 31 1 0 0 0 0 27 33 1 6 0 0 0 28 32 1 6 0 0 0 29 32 1 0 0 0 0 4 34 1 6 0 0 0 10 35 1 6 0 0 0 15 18 1 0 0 0 0 15 36 1 1 0 0 0 M END > CFN99254 > Niloticin > 115404-57-4 > 98% > C30H48O3 > 456.7 > Cryst. > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Niloticin-CFN99254.html $$$$ -ISIS- 10201511232D 21 22 0 0 0 0 0 0 0 0999 V2000 4.7208 -6.7333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7208 -7.6583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5208 -8.1167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3208 -7.6583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3208 -6.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5208 -6.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -6.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5208 -9.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -8.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -8.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1333 -6.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9125 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7125 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5083 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5083 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7125 -4.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9125 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3083 -4.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3083 -6.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1042 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 1 7 1 1 0 0 0 5 8 1 1 0 0 0 3 9 1 1 0 0 0 2 10 1 6 0 0 0 4 11 1 6 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 16 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 M END > CFN99092 > Tachioside > 109194-60-7 > 98% > C13H18O8 > 302.3 > Powder > Phenols > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Tachioside-CFN99092.html $$$$ -ISIS- 10201511232D 33 36 0 0 0 0 0 0 0 0999 V2000 2.5083 -7.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5083 -7.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -7.9458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5458 -7.6458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5458 -7.0458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0250 -6.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -7.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5833 -7.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5833 -7.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -6.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -6.7458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1042 -6.1458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5833 -5.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -6.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -5.8458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1458 -6.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 -6.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -5.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5458 -6.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -7.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -7.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -5.2458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1042 -4.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 -4.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 -5.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1833 -4.9458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7042 -5.2458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2208 -4.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 -5.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -8.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -8.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1833 -4.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2208 -5.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 2 0 0 0 0 15 12 1 0 0 0 0 16 15 1 0 0 0 0 16 17 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 1 0 0 0 5 19 1 1 0 0 0 2 20 2 0 0 0 0 11 21 1 6 0 0 0 15 22 1 1 0 0 0 22 23 1 6 0 0 0 24 22 1 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 27 29 1 0 0 0 0 3 30 1 1 0 0 0 3 31 1 6 0 0 0 26 32 1 6 0 0 0 27 33 1 0 0 0 0 M END > CFN99085 > Ganodermanondiol > 107900-76-5 > 98% > C30H48O3 > 456.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Ganodermanondiol-CFN99085.html $$$$ -ISIS- 10201511232D 23 26 0 0 0 0 0 0 0 0999 V2000 5.0333 -7.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -6.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9167 -7.6708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6542 -7.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6542 -6.2083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9167 -5.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0333 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 -7.5792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2375 -7.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2375 -6.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 -5.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4500 -8.4958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6542 -8.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8583 -8.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -9.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2375 -8.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 -6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 -4.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -5.2917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2375 -8.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -7.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5208 -6.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 -8.1292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 2 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 5 1 0 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 12 16 1 1 0 0 0 2 17 1 1 0 0 0 11 18 1 6 0 0 0 5 19 1 6 0 0 0 8 20 1 6 0 0 0 4 21 1 6 0 0 0 2 22 1 6 0 0 0 22 21 1 0 0 0 0 3 23 1 1 0 0 0 3 14 1 0 0 0 0 M END > CFN99011 > Artemisinin > 63968-64-9 > 98% > C15H22O5 > 282.3 > Cryst. > Sesquiterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Artemisinin-CFN99011.html $$$$ -ISIS- 10201511232D 23 25 0 0 0 0 0 0 0 0999 V2000 3.9667 -7.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -8.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7458 -8.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -8.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -7.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7458 -6.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -8.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0958 -8.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0958 -7.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -6.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -6.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6667 -7.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4458 -6.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4458 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6667 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2292 -5.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -9.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7458 -9.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -6.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0167 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -8.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3958 -8.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 7 18 2 0 0 0 0 3 19 1 0 0 0 0 1 20 1 0 0 0 0 17 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 M END > CFN99010 > Pectolinarigenin > 520-12-7 > 98% > C17H14O6 > 314.3 > Yellow powder > Flavonoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Pectolinarigenin-CFN99010.html $$$$ -ISIS- 10201511232D 26 31 0 0 0 0 0 0 0 0999 V2000 3.0250 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -7.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -7.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -7.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -7.9708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -7.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -6.6000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9833 -7.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -5.6833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7542 -5.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9833 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -4.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -6.6000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5625 -5.8000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5625 -4.6208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2083 -7.0708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2083 -5.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2083 -7.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9958 -8.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 -5.8000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.8208 -5.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 -6.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0042 -5.0833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -5.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 8 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 1 0 0 0 9 15 1 6 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 14 1 0 0 0 0 12 14 1 0 0 0 0 15 18 1 0 0 0 0 17 19 1 0 0 0 0 19 13 1 1 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 18 24 1 0 0 0 0 19 25 1 1 0 0 0 11 26 1 1 0 0 0 M END > CFN99001 > Gelsemine > 509-15-9 > 98% > C20H22N2O2 > 322.4 > Powder > Alkaloids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Gelsemine-CFN99001.html $$$$