-ISIS- 10201511232D 27 29 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 1 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 O 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 H 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 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 6 0 0 0 M END > CFN97206 > Yuheinoside > 72396-01-1 > 98% > C16H24O9 > 360.4 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Yuheinoside-CFN97206.html $$$$ -ISIS- 10201511232D 28 30 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 1 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 4.8000 -3.7708 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 8 28 1 1 0 0 0 M END > CFN98212 > Loganic acid > 22255-40-9 > 98% > C16H24O10 > 376.4 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Loganic-acid-CFN98212.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 1 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 5.4792 -5.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5333 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -2.1125 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 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 9 15 1 1 0 0 0 9 16 1 6 0 0 0 7 17 1 1 0 0 0 3 18 1 1 0 0 0 19 18 1 6 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 6 0 0 0 21 26 1 6 0 0 0 20 27 1 1 0 0 0 22 28 1 1 0 0 0 25 29 1 0 0 0 0 M END > CFN98370 > Shanzhiside > 29836-27-9 > 98% > C16H24O11 > 392.4 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Shanzhiside-CFN98370.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 1 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 5.4792 -5.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5333 -5.4417 0.0000 C 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 5.8708 -6.1042 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 2 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 9 15 1 6 0 0 0 9 16 1 1 0 0 0 3 17 1 1 0 0 0 18 17 1 6 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 22 24 1 6 0 0 0 20 25 1 6 0 0 0 19 26 1 1 0 0 0 21 27 1 1 0 0 0 24 28 1 0 0 0 0 16 29 1 0 0 0 0 M END > CFN99523 > Monotropein > 5945-50-6 > 98% > C16H22O11 > 390.34 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Monotropein-CFN99523.html $$$$ -ISIS- 10201511232D 28 30 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 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 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 M END > CFN98337 > Geniposidic acid > 27741-01-1 > 98% > C16H22O10 > 374.3 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Geniposidic-acid-CFN98337.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 1 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 1 0 0 0 M END > CFN92535 > Scandoside > 18842-99-4 > 98% > C16H22O11 > 390.3 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Scandoside-CFN92535.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 32 34 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 4.4333 -5.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -4.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -5.2500 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 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 28 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 M END > CFN92108 > Asperulosidic acid > 25368-11-0 > 98% > C18H24O12 > 432.4 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Asperulosidic-acid-CFN92108.html $$$$ -ISIS- 10201511232D 33 35 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 4.4333 -5.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -4.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -5.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -4.5875 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 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 28 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 M END > CFN92524 > Paederosidic acid > 18842-98-3 > 98% > C18H24O12S > 464.4 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Paederosidic-acid-CFN92524.html $$$$ -ISIS- 10201511232D 18 19 0 0 0 0 0 0 0 0999 V2000 6.5667 -8.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5667 -9.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3792 -9.5292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1917 -9.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1917 -8.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -7.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -7.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1333 -8.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6792 -9.3500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3792 -10.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -10.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -7.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -10.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -8.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -6.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -6.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 -6.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -6.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 3 10 1 1 0 0 0 2 11 1 1 0 0 0 1 12 1 1 0 0 0 9 13 1 1 0 0 0 8 14 1 1 0 0 0 6 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 M END > CFN98369 > Loganetin > 29748-10-5 > 98% > C11H16O5 > 228.2 > Powder > Iridoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Loganetin-CFN98369.html $$$$ -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 1 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 4.8000 -3.7708 0.0000 O 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 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 8 28 1 1 0 0 0 13 29 1 0 0 0 0 M END > CFN99858 > Loganin > 18524-94-2 > 98% > C17H26O10 > 390.4 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Loganin-CFN99858.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 34 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 5.0875 -5.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -6.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -6.5167 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 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 27 30 1 0 0 0 0 27 31 2 0 0 0 0 30 32 1 0 0 0 0 M END > CFN97199 > Griselinoside > 71035-06-8 > 98% > C18H24O12 > 432.4 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Griselinoside-CFN97199.html $$$$ -ISIS- 10201511232D 18 20 0 0 0 0 0 0 0 0999 V2000 6.1125 -8.1292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1125 -9.0667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9208 -9.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7333 -9.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7333 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9208 -7.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -7.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6708 -8.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -9.3542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1125 -7.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -10.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9208 -10.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -10.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -9.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9208 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7333 -6.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5417 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -6.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 1 10 1 1 0 0 0 2 11 1 1 0 0 0 3 12 1 6 0 0 0 9 13 1 6 0 0 0 9 14 1 1 0 0 0 13 12 1 0 0 0 0 6 15 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 15 18 2 0 0 0 0 M END > CFN99492 > Garjasmin > 144868-43-9 > 98% > C11H12O5 > 224.2 > Powder > Iridoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Garjasmin-CFN99492.html $$$$ -ISIS- 10201511232D 18 20 0 0 0 0 0 0 0 0999 V2000 6.1125 -8.1292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1125 -9.0667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9208 -9.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7333 -9.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7333 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9208 -7.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -7.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6708 -8.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -9.3542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1125 -7.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -10.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9208 -10.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -10.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -9.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9208 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7333 -6.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5417 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -6.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 1 10 1 1 0 0 0 2 11 1 1 0 0 0 3 12 1 6 0 0 0 9 13 1 6 0 0 0 9 14 1 1 0 0 0 13 12 1 0 0 0 0 6 15 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 15 18 2 0 0 0 0 M END > CFN99447 > Gardenine > 139682-36-3 > 98% > C11H13NO4 > 223.2 > Oil > Iridoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Gardenine-CFN99447.html $$$$ -ISIS- 10201511232D 30 32 0 0 0 0 0 0 0 0999 V2000 6.0000 -5.3542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0000 -6.2708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7917 -6.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5833 -6.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -5.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -5.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -6.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7917 -3.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -4.4417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -7.1833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -3.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -3.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -3.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -7.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -8.0958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5833 -9.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -9.4667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1667 -9.0125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1667 -8.0958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3750 -7.6417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9583 -7.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -10.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -6.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9583 -9.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1667 -10.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -7.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -7.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 -6.7708 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 2 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 13 15 1 0 0 0 0 3 16 1 1 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 17 1 0 0 0 0 17 16 1 1 0 0 0 21 23 1 1 0 0 0 19 24 1 1 0 0 0 22 25 1 6 0 0 0 20 26 1 6 0 0 0 24 27 1 0 0 0 0 9 28 1 6 0 0 0 9 29 1 1 0 0 0 28 30 1 0 0 0 0 M END > CFN90237 > Gardenoside > 24512-62-7 > 98% > C17H24O11 > 404.37 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Gardenoside-CFN90237.html $$$$ -ISIS- 10201511232D 30 32 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 1 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 9.6208 -1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -5.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5333 -5.4417 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 13 27 1 0 0 0 0 9 28 1 1 0 0 0 9 29 1 6 0 0 0 7 30 1 1 0 0 0 M END > CFN97107 > Shanzhiside methylester > 64421-28-9 > 98% > C17H26O11 > 406.4 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Shanzhiside-methyl-ester-CFN97107.html $$$$ -ISIS- 10201511232D 33 35 0 0 0 0 0 0 0 0999 V2000 4.3875 -6.1833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3875 -7.0833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1667 -7.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9500 -7.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -6.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -5.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5333 -5.9083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0000 -6.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5333 -7.3667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1667 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -5.2833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -7.9875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -4.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -4.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -7.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -8.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -8.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -8.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9417 -9.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7208 -10.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5042 -9.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5042 -8.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7208 -8.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2833 -8.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -11.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1583 -10.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2833 -10.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0625 -8.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -5.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9708 -7.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -7.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9708 -6.4667 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 9 15 1 1 0 0 0 9 16 1 6 0 0 0 13 17 1 0 0 0 0 3 18 1 1 0 0 0 19 18 1 6 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 6 0 0 0 21 26 1 6 0 0 0 20 27 1 1 0 0 0 22 28 1 1 0 0 0 25 29 1 0 0 0 0 7 30 1 1 0 0 0 15 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 M END > CFN98966 > 8-O-Acetylshanzhiside methyl ester > 57420-46-9 > 98% > C19H28O12 > 448.4 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/8-O-Acetylshanzhiside-methyl-ester-CFN98966.html $$$$ -ISIS- 10201511232D 41 44 0 0 0 0 0 0 0 0999 V2000 4.3875 -6.1833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3875 -7.0833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1667 -7.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9500 -7.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -6.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -5.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5333 -5.9083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0000 -6.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5333 -7.3667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1667 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -5.2833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -7.9875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -4.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -4.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -7.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -8.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -8.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -8.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9417 -9.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7208 -10.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5042 -9.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5042 -8.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7208 -8.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2833 -8.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -11.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1583 -10.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2833 -10.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0625 -8.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -5.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -4.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -3.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -4.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2542 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -4.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -4.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1542 -3.4917 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 9 15 1 1 0 0 0 9 16 1 6 0 0 0 13 17 1 0 0 0 0 3 18 1 1 0 0 0 19 18 1 6 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 6 0 0 0 21 26 1 6 0 0 0 20 27 1 1 0 0 0 22 28 1 1 0 0 0 25 29 1 0 0 0 0 7 30 1 1 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 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 39 1 0 0 0 0 39 40 2 0 0 0 0 40 35 1 0 0 0 0 38 41 1 0 0 0 0 M END > CFN99359 > 6-O-trans-p-Coumaroylshanzhiside methyl ester > 1246012-26-9 > 98% > C26H32O13 > 552.5 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/6-O-trans-p-Coumaroylshanzhiside-methyl-ester-CFN99359.html $$$$ -ISIS- 10201511232D 30 32 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 1 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 O 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 9.6208 -1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -5.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5333 -5.4417 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 13 27 1 0 0 0 0 9 28 1 1 0 0 0 9 29 1 6 0 0 0 7 30 1 1 0 0 0 M END > CFN97445 > 6beta-Hydroxyipolamiide > 87797-84-0 > 98% > C17H26O12 > 422.4 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/6beta-Hydroxyipolamiide-CFN97445.html $$$$ -ISIS- 10201511232D 33 35 0 0 0 0 0 0 0 0999 V2000 4.3875 -6.1833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3875 -7.0833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1667 -7.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9500 -7.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -6.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -5.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5333 -5.9083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0000 -6.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5333 -7.3667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1667 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -5.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -7.9875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -4.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -4.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -7.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -8.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -8.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -8.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9417 -9.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7208 -10.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5042 -9.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5042 -8.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7208 -8.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2833 -8.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -11.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1583 -10.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2833 -10.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0625 -8.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -5.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9708 -7.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -7.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9708 -6.4667 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 9 15 1 1 0 0 0 9 16 1 6 0 0 0 13 17 1 0 0 0 0 3 18 1 1 0 0 0 19 18 1 6 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 6 0 0 0 21 26 1 6 0 0 0 20 27 1 1 0 0 0 22 28 1 1 0 0 0 25 29 1 0 0 0 0 7 30 1 1 0 0 0 15 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 M END > CFN98356 > Phlorigidoside B > 288248-46-4 > 98% > C19H28O13 > 464.4 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Phlorigidoside-B-CFN98356.html $$$$ -ISIS- 10201511232D 41 44 0 0 0 0 0 0 0 0999 V2000 4.3875 -6.1833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3875 -7.0833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1667 -7.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9500 -7.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -6.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -5.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5333 -5.9083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0000 -6.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5333 -7.3667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1667 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -5.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -7.9875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -4.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -4.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -7.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -8.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -8.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -8.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9417 -9.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7208 -10.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5042 -9.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5042 -8.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7208 -8.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2833 -8.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -11.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1583 -10.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2833 -10.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0625 -8.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -5.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9708 -7.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -7.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9708 -6.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -4.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -3.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -4.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -4.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -5.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -5.0500 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 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 9 15 1 1 0 0 0 9 16 1 6 0 0 0 13 17 1 0 0 0 0 3 18 1 1 0 0 0 19 18 1 6 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 6 0 0 0 21 26 1 6 0 0 0 20 27 1 1 0 0 0 22 28 1 1 0 0 0 25 29 1 0 0 0 0 7 30 1 1 0 0 0 15 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 30 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 36 1 0 0 0 0 M END > CFN99357 > 6-O-Benzoylphlorigidoside B > 1246012-24-7 > 98% > C26H32O14 > 568.5 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/6-O-Benzoylphlorigidoside-B-CFN99357.html $$$$ -ISIS- 10201511232D 43 46 0 0 0 0 0 0 0 0999 V2000 4.3875 -6.1833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3875 -7.0833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1667 -7.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9500 -7.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -6.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -5.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5333 -5.9083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0000 -6.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5333 -7.3667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1667 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -5.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -7.9875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -4.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -4.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -7.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -8.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -8.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -8.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9417 -9.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7208 -10.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5042 -9.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5042 -8.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7208 -8.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2833 -8.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -11.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1583 -10.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2833 -10.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0625 -8.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -5.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9708 -7.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -7.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9708 -6.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -4.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -3.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -4.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2542 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -4.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -4.2708 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 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 9 15 1 1 0 0 0 9 16 1 6 0 0 0 13 17 1 0 0 0 0 3 18 1 1 0 0 0 19 18 1 6 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 6 0 0 0 21 26 1 6 0 0 0 20 27 1 1 0 0 0 22 28 1 1 0 0 0 25 29 1 0 0 0 0 7 30 1 1 0 0 0 15 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 30 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 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 2 0 0 0 0 43 38 1 0 0 0 0 M END > CFN99358 > 6-O-trans-Cinnamoylphlorigidoside B > 1246012-25-8 > 98% > C28H34O14 > 594.6 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/6-O-trans-Cinnamoylphlorigidoside-B-CFN99358.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 9.6208 -1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -5.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5333 -5.4417 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 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 13 27 1 0 0 0 0 9 28 1 1 0 0 0 9 29 1 6 0 0 0 M END > CFN97106 > Mussaenoside > 64421-27-8 > 98% > C17H26O10 > 390.4 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Mussaenoside-CFN97106.html $$$$ -ISIS- 10201511232D 40 43 0 0 0 0 0 0 0 0999 V2000 -0.7375 -4.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7375 -4.9583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0417 -5.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8250 -4.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -4.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 -3.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5917 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 -4.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5917 -5.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0417 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7375 -3.1583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7375 -5.8625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -2.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7375 -2.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -6.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -6.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -6.7625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8167 -7.6625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5958 -8.1167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3792 -7.6625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3792 -6.7625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5958 -6.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1583 -6.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 -9.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0333 -8.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1583 -8.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -6.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -8.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -9.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -8.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4958 -8.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 -8.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 -8.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8375 -8.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8375 -7.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 -6.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 -7.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6167 -6.7625 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 9 15 1 1 0 0 0 9 16 1 6 0 0 0 13 17 1 0 0 0 0 3 18 1 1 0 0 0 19 18 1 6 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 6 0 0 0 21 26 1 6 0 0 0 20 27 1 1 0 0 0 22 28 1 1 0 0 0 25 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 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 38 1 0 0 0 0 38 39 2 0 0 0 0 39 34 1 0 0 0 0 37 40 1 0 0 0 0 M END > CFN99360 > 4'-O-trans-p-Coumaroylmussaenoside > 1246012-27-0 > 98% > C26H32O12 > 536.5 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/4-O-trans-p-Coumaroylmussaenoside-CFN99360.html $$$$ -ISIS- 10201511232D 30 32 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 1 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 O 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 9.6208 -1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -5.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5333 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -3.7708 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 13 27 1 0 0 0 0 9 28 1 1 0 0 0 9 29 1 6 0 0 0 8 30 1 1 0 0 0 M END > CFN97765 > Lamiide > 27856-54-8 > 98% > C17H26O12 > 422.38 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Lamiide-CFN97765.html $$$$ -ISIS- 10201511232D 40 43 0 0 0 0 0 0 0 0999 V2000 4.3875 -6.1833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3875 -7.0833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1667 -7.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9500 -7.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -6.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -5.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5333 -5.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -6.6333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5333 -7.3667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1667 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -5.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -7.9875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -4.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -4.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -7.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -8.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -6.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -5.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7583 -5.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -5.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3083 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -4.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -4.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -5.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -5.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -8.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -8.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9417 -9.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7208 -10.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5042 -9.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5042 -8.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7208 -8.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2833 -8.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -11.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1583 -10.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2833 -10.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0625 -8.8875 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 9 15 1 1 0 0 0 9 16 1 6 0 0 0 13 17 1 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 20 22 2 0 0 0 0 22 23 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 3 29 1 1 0 0 0 30 29 1 6 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 34 1 0 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 34 36 1 6 0 0 0 32 37 1 6 0 0 0 31 38 1 1 0 0 0 33 39 1 1 0 0 0 36 40 1 0 0 0 0 M END > CFN97726 > Durantoside I > 53526-67-3 > 98% > C26H32O13 > 552.53 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Durantoside-I-CFN97726.html $$$$ -ISIS- 10201511232D 42 45 0 0 0 0 0 0 0 0999 V2000 4.3875 -6.1833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3875 -7.0833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1667 -7.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9500 -7.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -6.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -5.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5333 -5.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -6.6333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5333 -7.3667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1667 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -5.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -7.9875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -4.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -4.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -7.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -8.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -6.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -5.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7583 -5.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -5.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3083 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -4.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -4.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -5.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -5.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -8.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -8.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9417 -9.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7208 -10.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5042 -9.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5042 -8.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7208 -8.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2833 -8.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -11.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1583 -10.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2833 -10.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0625 -8.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -5.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 -5.8500 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 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 9 15 1 1 0 0 0 9 16 1 6 0 0 0 13 17 1 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 20 22 2 0 0 0 0 22 23 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 3 29 1 1 0 0 0 30 29 1 6 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 34 1 0 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 34 36 1 6 0 0 0 32 37 1 6 0 0 0 31 38 1 1 0 0 0 33 39 1 1 0 0 0 36 40 1 0 0 0 0 26 41 1 0 0 0 0 41 42 1 0 0 0 0 M END > CFN97727 > Durantoside II > 53526-66-2 > 98% > C27H34O14 > 582.56 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Durantoside-II-CFN97727.html $$$$ -ISIS- 10201511232D 30 33 0 0 0 0 0 0 0 0999 V2000 4.8542 -5.7208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8542 -6.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6458 -7.1000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4458 -6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4458 -5.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6458 -5.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -5.4375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4375 -6.1792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9792 -6.9292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6458 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -4.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -7.5583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4458 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6458 -8.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -8.4792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4375 -9.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2375 -9.8625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0333 -9.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0333 -8.4792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2375 -8.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 -8.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -10.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -9.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 -9.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6250 -8.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2458 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6958 -4.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -7.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -7.8167 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 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 13 27 1 0 0 0 0 7 28 1 1 0 0 0 8 29 1 1 0 0 0 9 29 1 1 0 0 0 9 30 1 6 0 0 0 M END > CFN99274 > Sesamoside > 117479-87-5 > 98% > C17H24O12 > 420.4 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Sesamoside-CFN99274.html $$$$ -ISIS- 10201511232D 31 33 0 0 0 0 0 0 0 0999 V2000 3.5208 -5.0833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5208 -6.0208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3292 -6.4917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1458 -6.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1458 -5.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -4.7958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0750 -5.5542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6292 -6.3167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3292 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5208 -4.1458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5208 -6.9583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1458 -3.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5208 -3.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -7.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -7.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1375 -8.8375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9500 -9.3083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7625 -8.8375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7625 -7.9000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9500 -7.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 -7.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -10.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 -9.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 -9.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3875 -7.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9583 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -3.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8208 -6.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 -5.5542 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 13 27 1 0 0 0 0 7 28 1 1 0 0 0 9 29 1 6 0 0 0 9 30 1 1 0 0 0 8 31 1 1 0 0 0 M END > CFN92847 > Lamalbid > 52212-87-0 > 98% > C17H26O12 > 422.4 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Lamalbid-CFN92847.html $$$$ -ISIS- 10201511232D 18 19 0 0 0 0 0 0 0 0999 V2000 6.5667 -8.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5667 -9.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3792 -9.5292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1917 -9.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1917 -8.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -7.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -7.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1333 -8.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -9.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -10.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -10.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -7.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -10.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -6.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -6.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 -6.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -6.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -10.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 2 1 0 0 0 0 3 10 1 1 0 0 0 2 11 1 1 0 0 0 1 12 1 1 0 0 0 9 13 1 0 0 0 0 6 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 13 18 1 0 0 0 0 M END > CFN99142 > Genipin > 6902-77-8 > 98% > C11H14O5 > 226.23 > White powder > Iridoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Genipin-CFN99142.html $$$$ -ISIS- 10201511232D 29 31 0 0 0 0 0 0 0 0999 V2000 5.6125 -5.1208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6125 -6.0583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4250 -6.5250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2375 -6.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -5.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7208 -4.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1708 -5.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7208 -6.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -4.1833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -6.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4833 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -7.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0458 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -7.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -7.9292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2375 -8.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0458 -9.3333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8583 -8.8708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8583 -7.9292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0458 -7.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6708 -7.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0458 -10.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0458 -6.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6708 -9.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8583 -10.7375 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 9 13 1 0 0 0 0 13 14 1 0 0 0 0 15 10 1 0 0 0 0 10 16 2 0 0 0 0 15 17 1 0 0 0 0 3 18 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 19 18 1 1 0 0 0 23 25 1 1 0 0 0 21 26 1 1 0 0 0 24 27 1 6 0 0 0 22 28 1 6 0 0 0 26 29 1 0 0 0 0 M END > CFN98261 > Geniposide > 24512-63-8 > 98% > C17H24O10 > 388.4 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Geniposide-CFN98261.html $$$$ -ISIS- 10201511232D 40 43 0 0 0 0 0 0 0 0999 V2000 6.0000 -5.3542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0000 -6.2708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7917 -6.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5833 -6.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -5.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -5.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -3.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -4.4417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -7.1833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8958 -7.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -7.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -3.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -3.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -3.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -7.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -8.0958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5833 -9.0125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3750 -9.4667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1667 -9.0125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1667 -8.0958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3750 -7.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9583 -7.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -10.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -9.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9542 -9.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9583 -6.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7458 -6.2708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5375 -6.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3292 -6.2708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3292 -5.3542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5375 -4.9000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7458 -5.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5375 -3.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1208 -6.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5375 -7.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1208 -4.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3292 -3.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 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 9 13 1 0 0 0 0 13 14 1 0 0 0 0 15 10 1 0 0 0 0 10 16 2 0 0 0 0 15 17 1 0 0 0 0 3 18 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 19 18 1 6 0 0 0 23 25 1 6 0 0 0 21 26 1 6 0 0 0 20 27 1 1 0 0 0 22 28 1 1 0 0 0 25 29 1 0 0 0 0 30 29 1 6 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 34 1 0 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 34 36 1 6 0 0 0 32 37 1 6 0 0 0 31 38 1 1 0 0 0 33 39 1 1 0 0 0 36 40 1 0 0 0 0 M END > CFN98524 > Genipin-1-O-gentiobioside > 29307-60-6 > 98% > C23H34O15 > 550.51 > White powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Genipin-1-O-gentiobioside-CFN98524.html $$$$ -ISIS- 10201511232D 29 31 0 0 0 0 0 0 0 0999 V2000 6.0000 -5.3542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0000 -6.2708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7917 -6.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5833 -6.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -5.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -5.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -3.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -4.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -7.1833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8958 -7.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -7.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -3.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -3.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -3.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -7.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -8.0958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5833 -9.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -9.4667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1667 -9.0125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1667 -8.0958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3750 -7.6417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9583 -7.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -10.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -6.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9583 -9.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1667 -10.8375 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 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 9 13 1 0 0 0 0 13 14 1 0 0 0 0 15 10 1 0 0 0 0 10 16 2 0 0 0 0 15 17 1 0 0 0 0 3 18 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 19 18 1 1 0 0 0 23 25 1 1 0 0 0 21 26 1 1 0 0 0 24 27 1 6 0 0 0 22 28 1 6 0 0 0 26 29 1 0 0 0 0 M END > CFN98241 > Theviridoside > 23407-76-3 > 98% > C17H24O11 > 404.4 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Theviridoside-CFN98241.html $$$$ -ISIS- 10201511232D 30 32 0 0 0 0 0 0 0 0999 V2000 6.0000 -5.3542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0000 -6.2708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7917 -6.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5833 -6.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -5.0750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5917 -5.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -3.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -4.4417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -7.1833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8958 -7.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -7.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -3.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -3.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -3.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8958 -4.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -7.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -8.0958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5833 -9.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -9.4667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1667 -9.0125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1667 -8.0958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3750 -7.6417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9583 -7.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -10.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -6.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9583 -9.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1667 -10.8375 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 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 9 13 1 0 0 0 0 13 14 1 0 0 0 0 15 10 1 0 0 0 0 10 16 2 0 0 0 0 15 17 1 0 0 0 0 7 18 1 1 0 0 0 3 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 20 19 1 1 0 0 0 24 26 1 1 0 0 0 22 27 1 1 0 0 0 25 28 1 6 0 0 0 23 29 1 6 0 0 0 27 30 1 0 0 0 0 M END > CFN98330 > Feretoside > 27530-67-2 > 98% > C17H24O11 > 404.4 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Feretoside-CFN98330.html $$$$ -ISIS- 10201511232D 30 32 0 0 0 0 0 0 0 0999 V2000 6.0000 -5.3542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0000 -6.2708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7917 -6.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5833 -6.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -5.0750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5917 -5.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -3.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -4.4417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -7.1833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8958 -7.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -7.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -3.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -3.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -3.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8958 -4.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -7.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -8.0958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5833 -9.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -9.4667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1667 -9.0125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1667 -8.0958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3750 -7.6417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9583 -7.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -10.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -6.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9583 -9.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1667 -10.8375 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 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 9 13 1 0 0 0 0 13 14 1 0 0 0 0 15 10 1 0 0 0 0 10 16 2 0 0 0 0 15 17 1 0 0 0 0 7 18 1 6 0 0 0 3 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 20 19 1 1 0 0 0 24 26 1 1 0 0 0 22 27 1 1 0 0 0 25 28 1 6 0 0 0 23 29 1 6 0 0 0 27 30 1 0 0 0 0 M END > CFN92359 > Deacetylasperulosidic acid methyl ester > 52613-28-2 > 98% > C17H24O11 > 404.4 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Deacetylasperulosidic-acid-methyl-ester-CFN92359.html $$$$ -ISIS- 10201511232D 33 35 0 0 0 0 0 0 0 0999 V2000 6.0000 -5.3542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0000 -6.2708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7917 -6.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5833 -6.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -5.0750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5917 -5.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -3.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -4.4417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -7.1833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8958 -7.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -7.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -3.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -3.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -3.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8958 -4.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -8.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6083 -8.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -9.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -7.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -8.0958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5833 -9.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -9.4667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1667 -9.0125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1667 -8.0958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3750 -7.6417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9583 -7.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -10.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -6.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9583 -9.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1667 -10.8375 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 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 9 13 1 0 0 0 0 13 14 1 0 0 0 0 15 10 1 0 0 0 0 10 16 2 0 0 0 0 15 17 1 0 0 0 0 7 18 1 6 0 0 0 19 14 1 0 0 0 0 20 19 1 0 0 0 0 19 21 2 0 0 0 0 3 22 1 1 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 28 1 0 0 0 0 28 23 1 0 0 0 0 23 22 1 1 0 0 0 27 29 1 1 0 0 0 25 30 1 1 0 0 0 28 31 1 6 0 0 0 26 32 1 6 0 0 0 30 33 1 0 0 0 0 M END > CFN99468 > Daphylloside > 14260-99-2 > 98% > C19H26O12 > 446.4 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Daphylloside-CFN99468.html $$$$ -ISIS- 10201511232D 34 36 0 0 0 0 0 0 0 0999 V2000 6.0000 -5.3542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0000 -6.2708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7917 -6.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5833 -6.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -5.0750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5917 -5.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -3.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -4.4417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -7.1833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8958 -7.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -7.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -3.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -3.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -3.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8958 -4.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -8.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6083 -8.2250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -9.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -7.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -8.0958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5833 -9.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -9.4667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1667 -9.0125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1667 -8.0958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3750 -7.6417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9583 -7.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -10.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -6.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9583 -9.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1667 -10.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -9.0167 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 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 9 13 1 0 0 0 0 13 14 1 0 0 0 0 15 10 1 0 0 0 0 10 16 2 0 0 0 0 15 17 1 0 0 0 0 7 18 1 6 0 0 0 19 14 1 0 0 0 0 20 19 1 0 0 0 0 19 21 2 0 0 0 0 3 22 1 1 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 28 1 0 0 0 0 28 23 1 0 0 0 0 23 22 1 1 0 0 0 27 29 1 1 0 0 0 25 30 1 1 0 0 0 28 31 1 6 0 0 0 26 32 1 6 0 0 0 30 33 1 0 0 0 0 20 34 1 0 0 0 0 M END > CFN92525 > Paederosidic acid methyl ester > 122413-01-8 > 98% > C19H26O12S > 478.5 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Paederosidic-acid-methyl-ester-CFN92525.html $$$$ -ISIS- 10201511232D 42 45 0 0 0 0 0 0 0 0999 V2000 8.7583 -6.1417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7583 -7.0042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5042 -7.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2542 -7.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2542 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5042 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9375 -5.8792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4333 -6.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9375 -7.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5042 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7583 -5.2792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7583 -7.8667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -8.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -8.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2542 -4.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7583 -4.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9958 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -5.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -8.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5625 -8.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -9.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5042 -8.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2542 -8.7250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2542 -9.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9958 -10.0167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7417 -9.5875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7417 -8.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9958 -8.2958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4917 -8.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9958 -10.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9958 -7.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4917 -10.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7417 -11.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -9.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -9.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8458 -8.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9833 -8.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -9.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9833 -10.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8458 -10.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -9.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -11.0833 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 9 13 1 0 0 0 0 13 14 1 0 0 0 0 15 10 1 0 0 0 0 10 16 2 0 0 0 0 15 17 1 0 0 0 0 7 18 1 6 0 0 0 19 14 1 0 0 0 0 20 19 1 0 0 0 0 19 21 2 0 0 0 0 3 22 1 1 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 28 1 0 0 0 0 28 23 1 0 0 0 0 23 22 1 1 0 0 0 27 29 1 1 0 0 0 25 30 1 1 0 0 0 28 31 1 6 0 0 0 26 32 1 6 0 0 0 30 33 1 0 0 0 0 20 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 39 1 0 0 0 0 39 40 2 0 0 0 0 40 35 1 0 0 0 0 38 41 1 0 0 0 0 39 42 1 0 0 0 0 M END > CFN97953 > 10-O-Caffeoyl-6-epiferetoside > 83348-22-5 > 98% > C26H30O14 > 566.5 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/10-O-Caffeoyl-6-epiferetoside-CFN97953.html $$$$