-ISIS- 10201511232D 27 28 0 0 0 0 0 0 0 0999 V2000 2.1042 -6.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -7.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -7.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6708 -7.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6708 -6.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -6.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -5.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -7.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -6.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -7.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6083 -7.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -7.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -6.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6083 -6.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6083 -5.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 -7.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 -7.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 -6.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9583 -6.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 -5.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -5.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9583 -7.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -7.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 -7.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6708 -9.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1083 -9.2000 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 6 7 1 0 0 0 0 4 8 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 9 2 0 0 0 0 14 15 1 0 0 0 0 10 16 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 5 21 1 0 0 0 0 21 9 1 0 0 0 0 17 22 1 0 0 0 0 2 23 1 0 0 0 0 23 24 1 0 0 0 0 3 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 M END > CFN92877 > Didemethylpseudoaspidin AA > 142382-28-3 > 98% > C19H20O8 > 376.4 > Powder > Phenols > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Didemethylpseudoaspidin-AA-CFN92877.html $$$$ -ISIS- 10201511232D 33 34 0 0 0 0 0 0 0 0999 V2000 2.1042 -6.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -7.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -7.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6708 -7.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6708 -6.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -6.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -5.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -6.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 -6.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -5.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -7.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -7.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -6.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -7.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6083 -7.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -7.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -6.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6083 -6.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6083 -5.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 -7.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 -7.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 -6.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9583 -6.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 -5.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -5.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2417 -6.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -6.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7417 -6.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5250 -6.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9583 -7.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 -7.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6083 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 6 7 1 0 0 0 0 1 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 2 11 1 0 0 0 0 4 12 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 18 19 1 0 0 0 0 14 20 1 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 5 25 1 0 0 0 0 25 13 1 0 0 0 0 9 26 1 0 0 0 0 26 27 1 0 0 0 0 23 28 1 0 0 0 0 28 29 1 0 0 0 0 21 30 1 0 0 0 0 11 31 1 0 0 0 0 15 32 1 0 0 0 0 3 33 1 0 0 0 0 M END > CFN90684 > Pseudoaspidin > N/A > 98% > C25H32O8 > 460.5 > Powder > Phenols > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Pseudoaspidin-CFN90684.html $$$$ -ISIS- 10201511232D 29 30 0 0 0 0 0 0 0 0999 V2000 -0.0500 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7333 -6.5917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5167 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7333 -4.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7333 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 -4.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6167 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 -6.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -6.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6708 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6708 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -6.5917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2375 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -4.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -6.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0208 -6.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0208 -4.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0208 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1083 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2833 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 6 7 2 0 0 0 0 1 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 2 11 1 0 0 0 0 4 12 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 18 19 2 0 0 0 0 14 20 1 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 5 25 1 0 0 0 0 25 13 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 M END > CFN98474 > Albaspidin AA > 3570-40-9 > 98% > C21H24O8 > 404.4 > Yellow powder > Phenols > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Albaspidin-AA-CFN98474.html $$$$ -ISIS- 10201511232D 30 31 0 0 0 0 0 0 0 0999 V2000 -0.0500 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7333 -6.5917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5167 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7333 -4.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7333 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 -4.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6167 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 -6.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -6.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6708 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6708 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -6.5917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2375 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -4.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -6.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0208 -6.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0208 -4.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0208 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1083 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2833 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5833 -4.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 6 7 2 0 0 0 0 1 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 2 11 1 0 0 0 0 4 12 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 18 19 2 0 0 0 0 14 20 1 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 5 25 1 0 0 0 0 25 13 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 23 30 1 0 0 0 0 M END > CFN90252 > Albaspidin AP > 59092-91-0 > 98% > C22H26O8 > 418.44 > Powder > Phenols > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Albaspidin-AP-CFN90252.html $$$$ -ISIS- 10201511232D 44 46 0 0 0 0 0 0 0 0999 V2000 -1.4875 -2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4875 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7042 -4.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0792 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7042 -2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7042 -1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 -2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 -1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0542 -2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 -4.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3292 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3292 -2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 -2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 -1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1125 -2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8958 -2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1125 -1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 -2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 -2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 -1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 -5.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 -5.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -5.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6083 -2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 -2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1542 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0958 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1125 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 6 7 2 0 0 0 0 1 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 4 11 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 17 18 2 0 0 0 0 13 19 1 0 0 0 0 16 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 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 28 29 1 0 0 0 0 24 30 1 0 0 0 0 26 31 1 0 0 0 0 25 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 27 38 1 0 0 0 0 38 12 1 0 0 0 0 5 37 1 0 0 0 0 37 23 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 2 44 1 0 0 0 0 M END > CFN99573 > Filixic acid ABA > 38226-84-5 > 98% > C32H36O12 > 612.63 > Yellow powder > Phenols > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Filixic-acid-ABA-CFN99573.html $$$$ -ISIS- 10201511232D 49 51 0 0 0 0 0 0 0 0999 V2000 -1.4875 -2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4875 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7042 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7042 -2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7042 -1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 -2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 -1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0542 -2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 -5.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7042 -5.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3292 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3292 -2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 -2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 -1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 -5.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1125 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1125 -2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0542 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8333 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8958 -2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1125 -1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8958 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6792 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 -2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 -2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 -1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 -5.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 -5.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -5.5125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7042 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1125 -5.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6083 -2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 -2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -5.0583 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 6 7 1 0 0 0 0 1 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 2 11 1 0 0 0 0 11 12 1 0 0 0 0 3 13 1 0 0 0 0 4 14 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 20 21 1 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 19 25 1 0 0 0 0 10 26 1 0 0 0 0 26 27 1 0 0 0 0 25 28 1 0 0 0 0 25 29 2 0 0 0 0 28 30 1 0 0 0 0 30 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 37 38 1 0 0 0 0 33 39 1 0 0 0 0 35 40 1 0 0 0 0 34 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 24 46 1 0 0 0 0 36 48 1 0 0 0 0 48 15 1 0 0 0 0 5 47 1 0 0 0 0 47 32 1 0 0 0 0 43 49 1 0 0 0 0 M END > CFN98169 > Agrimol B > 55576-66-4 > 98% > C37H46O12 > 682.75 > Powder > Phenols > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Agrimol-B-CFN98169.html $$$$ -ISIS- 10201511232D 59 62 0 0 0 0 0 0 0 0999 V2000 -1.4875 -2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4875 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7042 -4.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0792 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7042 -2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7042 -1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 -2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 -1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0542 -2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3583 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3583 -3.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1417 -4.1875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.9250 -3.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9250 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1417 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1417 -1.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5750 -4.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7083 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4917 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7083 -1.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 -2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 -2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 -1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 -5.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 -5.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -5.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6083 -2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1542 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6875 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5917 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7083 -4.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -3.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 -4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3292 -3.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3292 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 -1.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -4.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1125 -4.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 -5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -5.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3292 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3292 -6.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1125 -6.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8583 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 6 7 2 0 0 0 0 1 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 4 11 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 17 18 2 0 0 0 0 13 19 1 0 0 0 0 16 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 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 28 29 1 0 0 0 0 24 30 1 0 0 0 0 26 31 1 0 0 0 0 25 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 5 37 1 0 0 0 0 37 23 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 2 43 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 44 1 0 0 0 0 49 50 1 0 0 0 0 45 51 1 0 0 0 0 47 52 1 0 0 0 0 46 53 1 0 0 0 0 53 54 2 0 0 0 0 53 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 58 44 1 0 0 0 0 27 58 1 0 0 0 0 48 59 1 0 0 0 0 59 12 1 0 0 0 0 M END > CFN99519 > Dryocrassin ABBA > 12777-70-7 > 98% > C43H48O16 > 820.81 > Yellow powder > Phenols > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Dryocrassin-ABBA-CFN99519.html $$$$ -ISIS- 10201511232D 40 43 0 0 0 0 0 0 0 0999 V2000 0.8250 -5.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6083 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -5.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6083 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -5.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -5.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3083 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3083 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -5.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -4.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -6.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -7.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3083 -7.0292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6083 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -3.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -3.8625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 -5.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 -7.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6083 -7.9333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3917 -8.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -8.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -2.9583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3083 -2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6583 -3.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6583 -5.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 13 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 14 1 0 0 0 0 10 21 1 0 0 0 0 8 22 1 0 0 0 0 12 23 1 0 0 0 0 17 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 6 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 1 30 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 20 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 19 38 1 0 0 0 0 18 39 1 0 0 0 0 16 40 1 0 0 0 0 M END > CFN90561 > Gossypol > 303-45-7 > 98% > C30H30O8 > 518.56 > Powder > Phenols > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Gossypol-CFN90561.html $$$$ -ISIS- 10201511232D 44 46 0 0 0 0 0 0 0 0999 V2000 0.8250 -5.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6083 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -5.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6083 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -5.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -5.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3083 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3083 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -5.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -4.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -6.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -7.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3083 -7.0292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6083 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -3.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -3.8625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 -5.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 -7.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6083 -7.9333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3917 -8.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -8.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -2.9583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3083 -2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6583 -3.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6583 -5.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4208 -9.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -9.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 -9.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -8.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 13 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 14 1 0 0 0 0 10 21 1 0 0 0 0 8 22 1 0 0 0 0 12 23 1 0 0 0 0 17 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 6 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 1 30 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 20 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 19 38 1 0 0 0 0 18 39 1 0 0 0 0 16 40 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 2 0 0 0 0 M END > CFN98529 > Acetate gossypol > 12542-36-8 > 98% > C32H34O10 > 578.61 > Powder > Phenols > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Acetate-gossypol-CFN98529.html $$$$ -ISIS- 10201511232D 36 38 0 0 0 0 0 0 0 0999 V2000 3.9750 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -7.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7833 -8.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5875 -7.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5875 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7833 -6.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3958 -8.1083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2000 -7.6417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2000 -6.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3958 -6.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0083 -6.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8125 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6208 -6.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6208 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8125 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0083 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0083 -8.1083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3958 -9.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -6.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7833 -9.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -4.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4250 -4.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8125 -7.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0083 -9.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9375 -8.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -9.5042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2000 -10.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1333 -9.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7833 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5875 -5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -8.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9708 -8.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8125 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6125 -4.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4250 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2292 -7.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 1 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 8 17 1 6 0 0 0 7 18 1 6 0 0 0 6 29 1 0 0 0 0 2 31 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 15 33 1 0 0 0 0 13 35 1 0 0 0 0 16 21 1 0 0 0 0 14 22 1 0 0 0 0 12 23 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 1 2 2 0 0 0 0 29 30 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 31 32 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 33 34 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 35 36 2 0 0 0 0 G 33 15 C^HO G 29 6 C^HO G 31 2 C^HO G 35 13 C^HO M STY 4 1 SUP 2 SUP 3 SUP 4 SUP M SLB 4 1 1 2 2 3 3 4 4 M SAL 1 2 33 34 M SBL 1 1 18 M SMT 1 C^HO M SBV 1 18 0.0000 -0.9400 M SAL 2 2 29 30 M SBL 2 1 14 M SMT 2 C^HO M SBV 2 14 0.0000 -0.9300 M SAL 3 2 31 32 M SBL 3 1 15 M SMT 3 C^HO M SBV 3 15 0.8100 0.4600 M SAL 4 2 35 36 M SBL 4 1 19 M SMT 4 C^HO M SBV 4 19 -0.8000 0.4700 M END > CFN99601 > Sideroxylonal A > 145382-68-9 > 98% > C26H28O10 > 500.5 > Powder > Phenols > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Sideroxylonal-A-CFN99601.html $$$$