-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 45 49 0 0 0 0 0 0 0 0999 V2000 3.6458 -5.0292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6458 -6.0333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5167 -6.5333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3833 -6.0333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3833 -5.0292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5167 -4.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -4.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -7.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7833 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7833 -6.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -6.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5083 -5.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -5.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9833 -4.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -6.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -5.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7167 -4.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7167 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9833 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5833 -3.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5833 -5.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -2.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6458 -8.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6458 -9.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7833 -7.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -9.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -10.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6458 -11.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -10.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -9.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 -11.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6458 -12.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3833 -11.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -6.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -7.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2042 -8.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -7.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -6.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2042 -6.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -6.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3208 -7.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 -8.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2042 -9.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 -6.4375 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 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 1 0 0 0 3 8 1 1 0 0 0 1 9 1 1 0 0 0 2 10 1 6 0 0 0 4 11 1 6 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 14 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 14 1 0 0 0 0 18 21 1 0 0 0 0 17 22 1 0 0 0 0 19 23 1 0 0 0 0 8 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 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 25 1 0 0 0 0 28 32 1 0 0 0 0 29 33 1 0 0 0 0 30 34 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 41 12 1 0 0 0 0 41 42 2 0 0 0 0 38 27 1 0 0 0 0 36 43 1 0 0 0 0 37 44 1 0 0 0 0 35 45 1 0 0 0 0 M END > CFN90176 > Corilagin > 23094-69-1 > 98% > C27H22O18 > 634.45 > Powder > Phenols > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Corilagin-CFN90176.html $$$$ -ISIS- 10201511232D 46 50 0 0 0 0 0 0 0 0999 V2000 3.6458 -5.0292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6458 -6.0333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5167 -6.5333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3833 -6.0333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3833 -5.0292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5167 -4.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -4.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -7.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7833 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7833 -6.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -6.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -5.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9833 -4.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -6.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -5.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7167 -4.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7167 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9833 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5833 -3.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5833 -5.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -2.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 -8.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -9.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 -10.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -10.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -9.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -8.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1833 -9.4958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6833 -10.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1833 -11.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -11.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6833 -10.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6833 -12.1000 0.0000 O 0 0 0 0 0 0 0 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27 28 2 0 0 0 0 28 23 1 0 0 0 0 24 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 25 1 0 0 0 0 30 33 1 1 0 0 0 31 34 2 0 0 0 0 27 35 1 0 0 0 0 26 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 11 45 1 0 0 0 0 45 23 1 0 0 0 0 45 46 2 0 0 0 0 39 29 1 0 0 0 0 M END > CFN92294 > Chebulanin > 166833-80-3 > 98% > C27H24O19 > 652.5 > Powder > Phenols > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Chebulanin-CFN92294.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 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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 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0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 -6.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3500 -6.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 -5.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3500 -7.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0833 -7.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8167 -7.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8167 -6.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0833 -6.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5500 -6.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5500 -7.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0833 -8.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -7.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -8.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8833 -7.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4208 -9.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4208 -10.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -10.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -10.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -9.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -10.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 2.4917 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -0.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7583 -1.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -1.2167 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 3 8 1 1 0 0 0 1 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 15 18 1 0 0 0 0 14 19 1 0 0 0 0 16 20 1 0 0 0 0 7 21 1 0 0 0 0 21 22 2 0 0 0 0 21 12 1 0 0 0 0 11 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 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 24 1 0 0 0 0 29 31 1 0 0 0 0 28 32 1 0 0 0 0 27 33 1 0 0 0 0 8 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 35 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 35 1 0 0 0 0 38 42 1 0 0 0 0 39 43 1 0 0 0 0 40 44 1 0 0 0 0 45 46 2 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 45 1 0 0 0 0 48 51 1 0 0 0 0 49 52 1 0 0 0 0 47 53 1 0 0 0 0 10 54 1 0 0 0 0 54 45 1 0 0 0 0 54 55 2 0 0 0 0 9 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 57 59 2 0 0 0 0 58 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 62 63 1 0 0 0 0 63 64 2 0 0 0 0 64 58 1 0 0 0 0 62 65 1 0 0 0 0 63 66 1 0 0 0 0 61 67 1 0 0 0 0 M END > CFN90192 > 1,2,3,4,6-O-Pentagalloylglucose > 14937-32-7 > 98% > C41H32O26 > 940.68 > Powder > Phenols > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/1-2-3-4-6-O-Pentagalloylglucose-CFN90192.html $$$$ -ISIS- 10201511232D 122132 0 0 0 0 0 0 0 0999 V2000 5.9000 -4.8583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9000 -5.5917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5333 -5.9542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1708 -5.5917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1708 -4.8583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5333 -4.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8000 -4.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5333 -6.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -5.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8000 -5.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4500 -3.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0875 -3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7208 -3.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7208 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0875 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4500 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3542 -2.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3542 -3.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0875 -1.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8000 -3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 -3.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4333 -5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0667 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4333 -4.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0667 -6.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7042 -7.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3375 -6.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3375 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7042 -5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9708 -5.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9708 -7.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7042 -7.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -7.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -7.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8000 -6.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5333 -8.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5333 -8.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -9.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8000 -8.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8000 -8.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -9.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -9.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4333 -9.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6958 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6958 -6.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -6.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -7.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -7.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -5.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6333 -5.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -4.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -3.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6333 -3.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6333 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -3.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2708 -2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2708 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6333 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6333 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -1.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -1.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9875 -3.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6208 -3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9875 -2.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6208 -4.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2542 -4.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8875 -4.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8875 -3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2542 -3.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5208 -3.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5208 -4.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2542 -5.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3375 -8.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3375 -8.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9708 -7.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7042 -9.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7042 -9.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3375 -10.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9708 -9.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9708 -9.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0708 -10.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3375 -11.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6042 -10.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -8.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -8.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6333 -9.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -8.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -9.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -9.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -10.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6333 -9.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7333 -8.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7333 -10.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -11.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -6.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7958 -5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7958 -4.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1625 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -4.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1625 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1625 -3.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1042 -4.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1042 -5.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2708 -0.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 -0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 1.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4375 0.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4375 -0.4667 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 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 1 0 0 0 3 8 1 1 0 0 0 1 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 15 18 1 0 0 0 0 14 19 1 0 0 0 0 16 20 1 0 0 0 0 7 21 1 0 0 0 0 21 22 2 0 0 0 0 21 12 1 0 0 0 0 11 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 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 24 1 0 0 0 0 29 31 1 0 0 0 0 28 32 1 0 0 0 0 27 33 1 0 0 0 0 8 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 35 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 35 1 0 0 0 0 38 42 1 0 0 0 0 39 43 1 0 0 0 0 40 44 1 0 0 0 0 45 46 2 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 45 1 0 0 0 0 48 51 1 0 0 0 0 49 52 1 0 0 0 0 47 53 1 0 0 0 0 10 54 1 0 0 0 0 54 45 1 0 0 0 0 54 55 2 0 0 0 0 9 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 57 59 2 0 0 0 0 58 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 62 63 1 0 0 0 0 63 64 2 0 0 0 0 64 58 1 0 0 0 0 62 65 1 0 0 0 0 63 66 1 0 0 0 0 61 67 1 0 0 0 0 19 68 1 0 0 0 0 68 69 1 0 0 0 0 68 70 2 0 0 0 0 69 71 2 0 0 0 0 71 72 1 0 0 0 0 72 73 2 0 0 0 0 73 74 1 0 0 0 0 74 75 2 0 0 0 0 75 69 1 0 0 0 0 74 76 1 0 0 0 0 73 77 1 0 0 0 0 72 78 1 0 0 0 0 33 79 1 0 0 0 0 79 80 1 0 0 0 0 79 81 2 0 0 0 0 80 82 2 0 0 0 0 82 83 1 0 0 0 0 83 84 2 0 0 0 0 84 85 1 0 0 0 0 85 86 2 0 0 0 0 86 80 1 0 0 0 0 83 87 1 0 0 0 0 84 88 1 0 0 0 0 85 89 1 0 0 0 0 42 90 1 0 0 0 0 90 91 2 0 0 0 0 90 92 1 0 0 0 0 92 93 2 0 0 0 0 93 94 1 0 0 0 0 94 95 2 0 0 0 0 95 96 1 0 0 0 0 96 97 2 0 0 0 0 97 92 1 0 0 0 0 94 98 1 0 0 0 0 95 99 1 0 0 0 0 96100 1 0 0 0 0 53101 1 0 0 0 0 101102 2 0 0 0 0 101103 1 0 0 0 0 103104 2 0 0 0 0 104105 1 0 0 0 0 105106 2 0 0 0 0 106107 1 0 0 0 0 107108 2 0 0 0 0 108103 1 0 0 0 0 105109 1 0 0 0 0 106110 1 0 0 0 0 107111 1 0 0 0 0 67112 1 0 0 0 0 112113 2 0 0 0 0 112114 1 0 0 0 0 114115 2 0 0 0 0 115116 1 0 0 0 0 116117 2 0 0 0 0 117118 1 0 0 0 0 118119 2 0 0 0 0 119114 1 0 0 0 0 118120 1 0 0 0 0 117121 1 0 0 0 0 116122 1 0 0 0 0 M END > CFN90501 > Tannic acid > 1401-55-4 > 98% > C76H52O46 > 1701.2 > Powder > Phenols > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Tannic-acid-CFN90501.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 32 36 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 5.5583 -8.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7667 -7.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -8.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -9.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7667 -9.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5583 -9.1542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7667 -10.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -9.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -9.6083 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 12.6750 -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 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 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 26 28 1 6 0 0 0 24 29 1 6 0 0 0 15 30 1 0 0 0 0 14 31 1 0 0 0 0 31 32 1 0 0 0 0 M END > CFN99833 > Ducheside A > 176665-78-4 > 98% > C20H16O12 > 448.3 > Powder > Phenols > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Ducheside-A-CFN99833.html $$$$ -ISIS- 10201511232D 24 27 0 0 0 0 0 0 0 0999 V2000 3.2750 -9.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -10.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -11.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -10.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -9.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -9.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6458 -11.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 -10.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 -9.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6458 -9.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6458 -8.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -8.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -8.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -9.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -8.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 -8.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -7.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6458 -12.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4833 -11.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4833 -9.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 -8.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 -9.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6958 -10.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8083 -8.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 6 1 0 0 0 0 9 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 11 2 0 0 0 0 12 17 2 0 0 0 0 7 18 2 0 0 0 0 2 19 1 0 0 0 0 1 20 1 0 0 0 0 15 21 1 0 0 0 0 14 22 1 0 0 0 0 19 23 1 0 0 0 0 21 24 1 0 0 0 0 M END > CFN92805 > 4,4'-Di-O-methylellagic acid > 3374-77-4 > 98% > C16H10O8 > 330.0 > Powder > Phenols > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/4-4-Di-O-methylellagic-acid-CFN92805.html $$$$ -ISIS- 10201511232D 24 27 0 0 0 0 0 0 0 0999 V2000 3.2750 -9.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -10.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -11.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -10.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -9.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -9.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6458 -11.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 -10.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 -9.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6458 -9.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6458 -8.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -8.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -8.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -9.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -8.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 -8.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -7.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6458 -12.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4833 -11.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4833 -9.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 -8.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 -9.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8083 -9.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6958 -10.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 6 1 0 0 0 0 9 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 11 2 0 0 0 0 12 17 2 0 0 0 0 7 18 2 0 0 0 0 2 19 1 0 0 0 0 1 20 1 0 0 0 0 15 21 1 0 0 0 0 14 22 1 0 0 0 0 22 23 1 0 0 0 0 19 24 1 0 0 0 0 M END > CFN92806 > 3,4'-Di-O-methylellagic acid > 57499-59-9 > 98% > C16H10O8 > 330.0 > Powder > Phenols > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/3-4-Di-O-methylellagic-acid-CFN92806.html $$$$ -ISIS- 10201511232D 24 27 0 0 0 0 0 0 0 0999 V2000 7.1417 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9333 -7.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9333 -5.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5125 -7.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3042 -7.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3042 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5125 -5.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5125 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9333 -5.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0958 -5.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0958 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3042 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5125 -8.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -7.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -5.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5583 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8833 -4.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8833 -6.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6750 -5.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 6 1 0 0 0 0 9 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 11 2 0 0 0 0 12 17 2 0 0 0 0 7 18 2 0 0 0 0 2 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 15 22 1 0 0 0 0 14 23 1 0 0 0 0 23 24 1 0 0 0 0 M END > CFN98217 > 3,8-Di-O-methylellagic acid > 2239-88-5 > 98% > C16H10O8 > 330.3 > Powder > Phenols > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/3-8-Di-O-methylellagic-acid-CFN98217.html $$$$ -ISIS- 10201511232D 33 37 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 5.5583 -8.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7667 -7.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -8.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -9.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7667 -9.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5583 -9.1542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7667 -10.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -9.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -9.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5583 -6.4167 0.0000 C 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 12.6750 -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 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 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 26 28 1 6 0 0 0 24 29 1 6 0 0 0 20 30 1 0 0 0 0 15 31 1 0 0 0 0 14 32 1 0 0 0 0 32 33 1 0 0 0 0 M END > CFN97069 > 3-O-Methylducheside A > 62218-23-9 > 98% > C21H18O12 > 462.4 > Powder > Phenols > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/3-O-Methylducheside-A-CFN97069.html $$$$ -ISIS- 10201511232D 25 28 0 0 0 0 0 0 0 0999 V2000 7.1417 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9333 -7.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9333 -5.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5125 -7.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3042 -7.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3042 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5125 -5.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5125 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9333 -5.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0958 -5.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0958 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3042 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5125 -8.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -7.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -5.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5583 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8833 -4.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8833 -6.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6750 -5.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6750 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 6 1 0 0 0 0 9 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 11 2 0 0 0 0 12 17 2 0 0 0 0 7 18 2 0 0 0 0 2 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 15 22 1 0 0 0 0 14 23 1 0 0 0 0 23 24 1 0 0 0 0 22 25 1 0 0 0 0 M END > CFN99680 > 2,3,8-Tri-O-methylellagic acid > 1617-49-8 > 98% > C17H12O8 > 344.3 > Powder > Phenols > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/2-3-8-Tri-O-methylellagic-acid-CFN99680.html $$$$ -ISIS- 10201511232D 34 38 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 5.5583 -8.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7667 -7.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -8.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -9.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7667 -9.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5583 -9.1542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7667 -10.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -9.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -9.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5583 -6.4167 0.0000 C 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 12.6750 -5.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6750 -5.0458 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 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 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 26 28 1 6 0 0 0 24 29 1 6 0 0 0 20 30 1 0 0 0 0 15 31 1 0 0 0 0 14 32 1 0 0 0 0 32 33 1 0 0 0 0 31 34 1 0 0 0 0 M END > CFN99426 > 3,7-Di-O-methylducheside A > 136133-08-9 > 98% > C22H20O12 > 476.4 > Powder > Phenols > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/3-7-Di-O-methylducheside-A-CFN99426.html $$$$ -ISIS- 10201511232D 35 40 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 11.9625 -6.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4958 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 -4.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5583 -8.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7667 -7.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -8.2417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9792 -9.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7667 -9.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5583 -9.1542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7667 -10.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -7.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -9.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -9.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3958 -8.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5583 -6.4167 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 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 14 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 15 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 29 1 0 0 0 0 29 24 1 0 0 0 0 24 19 1 1 0 0 0 28 30 1 1 0 0 0 26 31 1 1 0 0 0 29 32 1 6 0 0 0 27 33 1 6 0 0 0 31 34 1 0 0 0 0 20 35 1 0 0 0 0 M END > CFN99851 > Nyssoside > 182138-70-1 > 98% > C22H18O13 > 490.4 > Powder > Phenols > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Nyssoside-CFN99851.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 78 88 0 0 0 0 0 0 0 0999 V2000 1.5875 -7.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 -8.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -8.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -8.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -7.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -7.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8208 -8.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -8.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -7.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8208 -7.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8208 -6.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -6.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -7.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -6.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -5.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8208 -9.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8458 -8.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8458 -7.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0583 -5.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0583 -7.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5458 -3.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5458 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -2.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5458 -1.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -3.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -11.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -12.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3083 -12.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -12.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -11.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3083 -11.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -11.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -12.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3083 -13.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -11.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2167 -6.0708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2167 -6.9292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9583 -7.3583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7083 -6.9292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7083 -6.0708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9583 -5.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9583 -8.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4500 -5.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4750 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4750 -7.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4500 -7.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7333 -6.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1500 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -2.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1333 -12.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6167 -10.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -10.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9083 -11.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7625 -11.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1917 -10.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7625 -10.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9083 -10.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1875 -10.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3250 -10.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8958 -10.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3250 -11.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1875 -11.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -9.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9542 -9.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8750 -9.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0458 -9.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0458 -10.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1917 -12.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1875 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9083 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 -12.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0417 -10.9458 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 57 58 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 60 61 2 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 63 58 1 0 0 0 0 57 64 2 0 0 0 0 64 65 1 0 0 0 0 65 66 2 0 0 0 0 66 67 1 0 0 0 0 67 68 2 0 0 0 0 68 57 1 0 0 0 0 63 69 1 0 0 0 0 69 70 2 0 0 0 0 64 71 1 0 0 0 0 71 72 2 0 0 0 0 71 48 1 0 0 0 0 52 69 1 0 0 0 0 61 73 1 0 0 0 0 60 74 1 0 0 0 0 68 75 1 0 0 0 0 59 76 1 0 0 0 0 67 77 1 0 0 0 0 66 78 1 0 0 0 0 M END > CFN99938 > Punicalagin > 65995-63-3 > 98% > C48H28O30 > 1084.72 > Powder > Phenols > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Punicalagin-CFN99938.html $$$$ -ISIS- 10201511232D 78 88 0 0 0 0 0 0 0 0999 V2000 -0.6917 -17.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6917 -18.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -19.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -18.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -17.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -17.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 -19.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -18.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -17.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 -17.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 -16.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -16.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -16.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0333 -17.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0333 -16.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -16.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -15.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 -20.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -19.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -17.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -16.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -17.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0208 -14.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0208 -14.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -15.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -14.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -14.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -13.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -13.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -12.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -15.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -21.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -22.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -23.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7708 -22.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7708 -21.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -21.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 -21.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 -23.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -24.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -21.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 -16.3500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9375 -17.2125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6792 -17.6417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4250 -17.2125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4250 -16.3500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6792 -15.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -18.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1667 -15.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -15.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -17.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1667 -17.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -16.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -14.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7958 -14.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -22.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3333 -21.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1958 -21.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6250 -21.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4792 -21.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9125 -21.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4792 -20.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6250 -20.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9042 -20.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0458 -20.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 -21.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0458 -21.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9042 -21.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8458 -19.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6708 -19.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5917 -19.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -19.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7667 -21.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9125 -22.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9042 -22.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6250 -22.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6208 -22.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7583 -21.2250 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 41 56 2 0 0 0 0 41 51 1 0 0 0 0 3 37 1 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 60 61 2 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 63 58 1 0 0 0 0 57 64 2 0 0 0 0 64 65 1 0 0 0 0 65 66 2 0 0 0 0 66 67 1 0 0 0 0 67 68 2 0 0 0 0 68 57 1 0 0 0 0 63 69 1 0 0 0 0 69 70 2 0 0 0 0 64 71 1 0 0 0 0 71 72 2 0 0 0 0 71 48 1 0 0 0 0 52 69 1 0 0 0 0 61 73 1 0 0 0 0 60 74 1 0 0 0 0 68 75 1 0 0 0 0 59 76 1 0 0 0 0 67 77 1 0 0 0 0 66 78 1 0 0 0 0 25 21 1 0 0 0 0 54 53 1 0 0 0 0 M END > CFN92297 > Terchebulin > 132854-40-1 > 98% > C48H28O30 > 1084.7 > Powder > Phenols > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Terchebulin-CFN92297.html $$$$