-ISIS- 10201511232D 23 24 0 0 0 0 0 0 0 0999 V2000 4.7083 -7.6000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7083 -8.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -8.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2958 -8.5208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2958 -7.6000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5000 -7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -8.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 -8.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 -7.6000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0917 -7.1417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5000 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9083 -7.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2708 -9.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -6.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -6.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 -7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 -5.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 -4.8417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8833 -6.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -4.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 -4.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4792 -4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 -3.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 3 11 1 0 0 0 0 1 12 1 1 0 0 0 4 13 1 6 0 0 0 5 14 1 1 0 0 0 10 15 1 0 0 0 0 9 16 1 6 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 10 19 1 6 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 2 0 0 0 0 18 23 1 1 0 0 0 M END > CFN97782 > 2beta-Hydroxykolavelool > 221466-42-8 > 98% > C20H34O2 > 306.49 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/2-Hydroxykolavelool-CFN97782.html $$$$ -ISIS- 10201511232D 23 24 0 0 0 0 0 0 0 0999 V2000 4.7083 -7.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7083 -8.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -8.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2958 -8.5208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2958 -7.6000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5000 -7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -8.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 -8.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 -7.6000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0917 -7.1417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5000 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9083 -7.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2708 -9.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -6.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -6.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 -7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 -5.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 -4.8417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8833 -6.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -4.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 -4.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4792 -4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 -3.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 3 11 1 0 0 0 0 1 12 2 0 0 0 0 4 13 1 6 0 0 0 5 14 1 1 0 0 0 10 15 1 0 0 0 0 9 16 1 6 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 10 19 1 6 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 2 0 0 0 0 18 23 1 1 0 0 0 M END > CFN97783 > 2-Oxokolavelool > 221466-41-7 > 98% > C20H32O2 > 304.47 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/2-Oxokolavelool-CFN97783.html $$$$ -ISIS- 10201511232D 22 23 0 0 0 0 0 0 0 0999 V2000 4.0958 -7.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0958 -8.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8833 -9.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -8.8458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6750 -7.9333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8833 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -9.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -8.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -7.9333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4625 -7.4792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8833 -10.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -6.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -7.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0375 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -9.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0375 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -3.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 3 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 5 14 1 1 0 0 0 10 15 1 6 0 0 0 9 16 1 6 0 0 0 4 17 1 6 0 0 0 13 18 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 21 18 2 0 0 0 0 20 22 1 0 0 0 0 M END > CFN97792 > Kolavenol > 19941-83-4 > 98% > C20H34O > 290.49 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Kolavenol-CFN97792.html $$$$ -ISIS- 10201511232D 23 24 0 0 0 0 0 0 0 0999 V2000 4.0958 -7.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0958 -8.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8833 -9.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -8.8458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6750 -7.9333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8833 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -9.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -8.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -7.9333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4625 -7.4792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8833 -10.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -6.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -7.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0375 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -9.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0375 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -3.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 -7.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 3 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 5 14 1 1 0 0 0 10 15 1 6 0 0 0 9 16 1 6 0 0 0 4 17 1 6 0 0 0 13 18 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 21 18 2 0 0 0 0 20 22 1 0 0 0 0 1 23 2 0 0 0 0 M END > CFN97832 > 2-Oxokolavenol > 130395-82-3 > 98% > C20H32O2 > 304.47 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/2-Oxokolavenol-CFN97832.html $$$$ -ISIS- 10201511232D 26 27 0 0 0 0 0 0 0 0999 V2000 4.0958 -7.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0958 -8.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8833 -9.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -8.8458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6750 -7.9333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8833 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -9.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -8.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -7.9333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4625 -7.4792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8833 -10.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -6.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -7.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0375 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -9.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -10.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0958 -10.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0375 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -3.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -3.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8833 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 3 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 5 14 1 1 0 0 0 10 15 1 6 0 0 0 9 16 1 6 0 0 0 4 17 1 6 0 0 0 18 11 1 0 0 0 0 11 19 2 0 0 0 0 13 20 1 0 0 0 0 20 21 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 20 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 M END > CFN98262 > Monomethyl kolavate > 24513-41-5 > 98% > C21H32O4 > 348.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Monomethyl-kolavate-CFN98262.html $$$$ -ISIS- 10201511232D 38 41 0 0 0 0 0 0 0 0999 V2000 4.0500 -7.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 -9.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -8.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6250 -7.8417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8375 -7.3875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4083 -9.2042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1958 -8.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1958 -7.8417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4083 -7.3875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9833 -7.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9833 -6.4833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1958 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4083 -6.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7667 -6.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -6.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1708 -5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 -10.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -6.9375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4083 -8.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -9.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5292 -4.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9833 -9.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7667 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5542 -9.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7667 -7.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -6.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4083 -10.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -10.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -11.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9833 -10.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 -6.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -5.1208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2667 -6.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -4.6667 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 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 3 19 1 0 0 0 0 5 20 1 1 0 0 0 12 18 1 1 0 0 0 12 15 1 6 0 0 0 10 21 1 6 0 0 0 4 22 1 6 0 0 0 17 23 2 0 0 0 0 8 24 1 1 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 25 27 2 0 0 0 0 9 28 1 6 0 0 0 7 29 1 6 0 0 0 30 29 1 0 0 0 0 31 30 1 0 0 0 0 30 32 2 0 0 0 0 34 33 1 0 0 0 0 35 34 1 0 0 0 0 34 36 2 0 0 0 0 6 33 1 1 0 0 0 35 37 1 0 0 0 0 38 35 1 0 0 0 0 M END > CFN99325 > Scutebata E > 1207181-61-0 > 98% > C28H40O9 > 520.6 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Scutebata-E-CFN99325.html $$$$ -ISIS- 10201511232D 41 45 0 0 0 0 0 0 0 0999 V2000 3.9583 -8.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -9.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -9.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5083 -9.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5083 -8.5625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7333 -8.1167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2833 -9.9042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0583 -9.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0583 -8.5625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2833 -8.1167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8333 -8.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -7.2208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0583 -6.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2833 -7.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2750 -7.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9083 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0208 -6.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -10.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5083 -7.6667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2833 -9.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5083 -10.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3583 -5.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -9.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -9.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3833 -9.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -8.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2833 -10.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 -11.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 -12.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -10.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -7.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -6.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1833 -7.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -5.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -4.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1833 -4.5333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1833 -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 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 3 19 1 0 0 0 0 5 20 1 1 0 0 0 12 18 1 1 0 0 0 12 15 1 6 0 0 0 10 21 1 6 0 0 0 4 22 1 6 0 0 0 17 23 2 0 0 0 0 8 24 1 1 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 25 27 2 0 0 0 0 9 28 1 6 0 0 0 7 29 1 6 0 0 0 30 29 1 0 0 0 0 31 30 1 0 0 0 0 30 32 2 0 0 0 0 34 33 1 0 0 0 0 35 34 1 0 0 0 0 34 36 2 0 0 0 0 6 33 1 1 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 M END > CFN99326 > Scutebata F > 1207181-62-1 > 98% > C30H37NO9 > 555.6 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Scutebata-F-CFN99326.html $$$$ -ISIS- 10201511232D 51 57 0 0 0 0 0 0 0 0999 V2000 3.4625 -7.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -8.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -8.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -8.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9292 -7.7208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1958 -7.2958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6667 -8.9917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4000 -8.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4000 -7.7208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6667 -7.2958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1333 -7.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1333 -6.4500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4000 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 -6.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4958 -6.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3083 -5.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -9.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -6.8708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -8.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -9.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5750 -4.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1333 -8.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 -8.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6000 -8.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 -7.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 -6.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -9.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 -10.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 -11.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1333 -9.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -11.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -12.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 -12.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1333 -12.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1333 -11.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6000 -9.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3375 -10.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0708 -9.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0708 -8.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3375 -8.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -6.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -5.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -3.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -6.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 3 19 1 0 0 0 0 5 20 1 1 0 0 0 12 18 1 1 0 0 0 12 15 1 6 0 0 0 10 21 1 6 0 0 0 4 22 1 6 0 0 0 17 23 2 0 0 0 0 8 24 1 1 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 25 27 2 0 0 0 0 9 28 1 6 0 0 0 7 29 1 6 0 0 0 30 29 1 0 0 0 0 31 30 1 0 0 0 0 30 32 2 0 0 0 0 31 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 31 1 0 0 0 0 26 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 26 1 0 0 0 0 44 43 1 0 0 0 0 45 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 44 51 2 0 0 0 0 6 43 1 1 0 0 0 M END > CFN99327 > Scutebata G > 1207181-63-2 > 98% > C40H41NO9 > 679.8 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Scutebata-G-CFN99327.html $$$$ -ISIS- 10201511232D 40 43 0 0 0 0 0 0 0 0999 V2000 2.1458 -6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 -7.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9333 -7.5750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7167 -7.1208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7167 -6.2125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9333 -5.7583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5042 -7.5750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2958 -7.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -6.2125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5042 -5.7583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5042 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -4.3917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7167 -5.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -3.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -2.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -8.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -8.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -9.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -8.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -4.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 -4.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -3.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -3.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -8.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1708 -8.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -8.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 -8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -9.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -10.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 5 13 1 1 0 0 0 10 14 1 6 0 0 0 9 15 1 6 0 0 0 4 16 1 6 0 0 0 12 17 1 0 0 0 0 19 20 1 0 0 0 0 20 17 1 0 0 0 0 18 21 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 17 18 2 0 0 0 0 7 23 1 6 0 0 0 16 37 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 12 27 1 6 0 0 0 6 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 27 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 3 35 1 6 0 0 0 35 36 1 0 0 0 0 3 36 1 1 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 37 39 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 G 37 16 OAc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 37 38 39 40 M SBL 1 1 23 M SMT 1 OAc M SBV 1 23 -0.2400 0.8800 M END > CFN92758 > Ajugapantin A > 121449-67-0 > 98% > C28H38O11 > 550.6 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Ajugapantin-A-CFN92758.html $$$$ -ISIS- 10201511232D 32 35 0 0 0 0 0 0 0 0999 V2000 2.1458 -6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 -7.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9333 -7.5750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7167 -7.1208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7167 -6.2125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9333 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -7.5750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2958 -7.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -6.2125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5042 -5.7583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5042 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -5.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -3.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -2.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -8.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -8.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1708 -8.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 -8.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -9.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -10.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7833 -10.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -10.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -11.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -10.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -10.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 5 13 1 1 0 0 0 10 14 1 6 0 0 0 9 15 1 6 0 0 0 12 16 1 0 0 0 0 18 19 1 0 0 0 0 19 16 1 0 0 0 0 17 20 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 16 17 2 0 0 0 0 7 22 1 6 0 0 0 3 23 1 6 0 0 0 23 24 1 0 0 0 0 3 24 1 1 0 0 0 25 26 1 0 0 0 0 4 25 1 6 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 31 32 1 0 0 0 0 M END > CFN92757 > Ajugamarin L2 > 124961-67-7 > 98% > C25H36O6 > 432.6 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Ajugamarin-L2-CFN92757.html $$$$ -ISIS- 10201511232D 35 38 0 0 0 0 0 0 0 0999 V2000 2.1458 -6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 -7.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9333 -7.5750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7167 -7.1208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7167 -6.2125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9333 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -7.5750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2958 -7.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -6.2125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5042 -5.7583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5042 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -5.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -3.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -2.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -8.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1708 -8.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 -8.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -9.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -10.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7833 -10.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -10.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -11.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -10.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -10.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -8.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -8.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -8.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -9.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 5 13 1 1 0 0 0 10 14 1 6 0 0 0 9 15 1 6 0 0 0 12 16 1 0 0 0 0 18 19 1 0 0 0 0 19 16 1 0 0 0 0 17 20 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 16 17 2 0 0 0 0 7 32 1 6 0 0 0 3 22 1 6 0 0 0 22 23 1 0 0 0 0 3 23 1 1 0 0 0 24 25 1 0 0 0 0 4 24 1 6 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 30 31 1 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 32 34 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 G 32 7 OAc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 32 33 34 35 M SBL 1 1 21 M SMT 1 OAc M SBV 1 21 0.0000 0.9100 M END > CFN92752 > Ajugacumbin A > 124961-66-6 > 98% > C27H38O7 > 474.6 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Ajugacumbin-A-CFN92752.html $$$$ -ISIS- 10201511232D 39 42 0 0 0 0 0 0 0 0999 V2000 2.1458 -6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 -7.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9333 -7.5750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7167 -7.1208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7167 -6.2125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9333 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -7.5750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2958 -7.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -6.2125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5042 -5.7583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5042 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -4.3917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7167 -5.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -3.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -2.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -8.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -8.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -9.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -8.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -4.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -4.8458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8667 -3.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2292 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -8.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1708 -8.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -8.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 -8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -9.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -10.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 5 13 1 1 0 0 0 10 14 1 6 0 0 0 9 15 1 6 0 0 0 4 16 1 6 0 0 0 12 17 1 0 0 0 0 19 20 1 0 0 0 0 20 17 1 0 0 0 0 18 21 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 17 18 2 0 0 0 0 7 23 1 6 0 0 0 16 36 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 12 27 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 31 33 1 0 0 0 0 3 34 1 6 0 0 0 34 35 1 0 0 0 0 3 35 1 1 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 36 38 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 G 36 16 OAc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 36 37 38 39 M SBL 1 1 23 M SMT 1 OAc M SBV 1 23 -0.2400 0.8800 M END > CFN92751 > Ajugamarin F4 > 122587-84-2 > 98% > C29H42O9 > 534.7 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Ajugamarin-F4-CFN92751.html $$$$ -ISIS- 10201511232D 43 46 0 0 0 0 0 0 0 0999 V2000 2.1458 -6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 -7.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9333 -7.5750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7167 -7.1208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7167 -6.2125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9333 -5.7583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5042 -7.5750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2958 -7.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -6.2125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5042 -5.7583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5042 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -4.3917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7167 -5.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -3.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -2.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -8.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -8.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -9.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -8.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -4.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 -4.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -3.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -3.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2292 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -8.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1708 -8.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -8.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 -8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -9.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -10.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 5 13 1 1 0 0 0 10 14 1 6 0 0 0 9 15 1 6 0 0 0 4 16 1 6 0 0 0 12 17 1 0 0 0 0 19 20 1 0 0 0 0 20 17 1 0 0 0 0 18 21 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 17 18 2 0 0 0 0 7 23 1 6 0 0 0 16 40 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 12 27 1 1 0 0 0 6 28 1 1 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 27 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 33 35 2 0 0 0 0 33 36 1 0 0 0 0 35 37 1 0 0 0 0 3 38 1 6 0 0 0 38 39 1 0 0 0 0 3 39 1 1 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 40 42 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 G 40 16 OAc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 40 41 42 43 M SBL 1 1 23 M SMT 1 OAc M SBV 1 23 -0.2400 0.8800 M END > CFN92755 > Ajuganipponin A > 936323-13-6 > 98% > C31H42O11 > 590.7 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Ajuganipponin-A-CFN92755.html $$$$ -ISIS- 10201511232D 46 49 0 0 0 0 0 0 0 0999 V2000 2.1458 -6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 -7.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9333 -7.5750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7167 -7.1208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7167 -6.2125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9333 -5.7583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5042 -7.5750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2958 -7.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -6.2125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5042 -5.7583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5042 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -4.3917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7167 -5.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -3.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -2.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -8.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -8.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -9.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -8.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -4.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 -4.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -3.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -4.8458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5750 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 -4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -3.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2292 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -8.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1708 -8.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -8.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 -8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -9.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -10.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 5 13 1 1 0 0 0 10 14 1 6 0 0 0 9 15 1 6 0 0 0 4 16 1 6 0 0 0 12 17 1 0 0 0 0 19 20 1 0 0 0 0 20 17 1 0 0 0 0 18 21 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 17 18 2 0 0 0 0 7 23 1 6 0 0 0 16 43 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 12 27 1 0 0 0 0 6 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 27 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 36 38 2 0 0 0 0 36 39 1 0 0 0 0 38 40 1 0 0 0 0 3 41 1 6 0 0 0 41 42 1 0 0 0 0 3 42 1 1 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 43 45 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 G 43 16 OAc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 43 44 45 46 M SBL 1 1 23 M SMT 1 OAc M SBV 1 23 -0.2400 0.8800 M END > CFN92753 > Ajugamarin H1 > 122616-88-0 > 98% > C34H48O11 > 632.8 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Ajugamarin-H1-CFN92753.html $$$$ -ISIS- 10201511232D 46 49 0 0 0 0 0 0 0 0999 V2000 2.1458 -6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 -7.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9333 -7.5750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7167 -7.1208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7167 -6.2125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9333 -5.7583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5042 -7.5750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2958 -7.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -6.2125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5042 -5.7583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5042 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -4.3917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7167 -5.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -3.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -2.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -8.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -8.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -9.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -8.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -4.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 -4.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -3.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -4.8458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5750 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 -4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -3.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2292 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -8.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1708 -8.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -8.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 -8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -9.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -10.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 5 13 1 1 0 0 0 10 14 1 6 0 0 0 9 15 1 6 0 0 0 4 16 1 6 0 0 0 12 17 1 0 0 0 0 19 20 1 0 0 0 0 20 17 1 0 0 0 0 18 21 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 17 18 2 0 0 0 0 7 23 1 6 0 0 0 16 43 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 12 27 1 0 0 0 0 6 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 27 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 36 38 2 0 0 0 0 36 39 1 0 0 0 0 38 40 1 0 0 0 0 3 41 1 6 0 0 0 41 42 1 0 0 0 0 3 42 1 1 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 43 45 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 G 43 16 OAc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 43 44 45 46 M SBL 1 1 23 M SMT 1 OAc M SBV 1 23 -0.2400 0.8800 M END > CFN92754 > Ajugamarin G1 > 122587-83-1 > 98% > C34H48O11 > 632.8 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Ajugamarin-G1-CFN92754.html $$$$ -ISIS- 10201511232D 46 49 0 0 0 0 0 0 0 0999 V2000 2.1458 -6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 -7.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9333 -7.5750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7167 -7.1208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7167 -6.2125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9333 -5.7583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5042 -7.5750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2958 -7.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -6.2125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5042 -5.7583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5042 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -4.3917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7167 -5.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -3.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -2.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -8.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -8.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -9.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -8.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -4.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 -4.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -3.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 -4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -3.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2292 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -8.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1708 -8.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -8.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 -8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -9.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -10.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 5 13 1 1 0 0 0 10 14 1 6 0 0 0 9 15 1 6 0 0 0 4 16 1 6 0 0 0 12 17 1 0 0 0 0 19 20 1 0 0 0 0 20 17 1 0 0 0 0 18 21 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 17 18 2 0 0 0 0 7 23 1 6 0 0 0 16 43 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 12 27 1 0 0 0 0 6 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 27 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 36 38 2 0 0 0 0 36 39 1 0 0 0 0 38 40 1 0 0 0 0 3 41 1 0 0 0 0 41 42 1 0 0 0 0 42 3 1 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 43 45 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 G 43 16 OAc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 43 44 45 46 M SBL 1 1 23 M SMT 1 OAc M SBV 1 23 -0.2400 0.8800 M END > CFN92756 > Ajugatakasins A > 197723-20-9 > 98% > C34H46O11 > 630.7 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Ajugatakasins-A-CFN92756.html $$$$ -ISIS- 10201511232D 43 47 0 0 0 0 0 0 0 0999 V2000 6.2458 -10.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2458 -10.9542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0208 -11.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7917 -10.9542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7917 -10.0583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0208 -9.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5667 -11.4000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3375 -10.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3375 -10.0583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5667 -9.6125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7917 -9.1667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -11.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -9.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -10.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -11.4000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7042 -10.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -10.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -11.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -11.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -12.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -12.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5667 -12.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5667 -13.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3333 -13.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -13.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3375 -11.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1083 -11.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8750 -11.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1083 -10.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1083 -9.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5667 -8.7292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2917 -8.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0125 -7.3542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1208 -7.3542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8458 -8.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 -6.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5667 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8458 -6.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9042 -7.3542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2333 -7.3542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5667 -10.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3375 -9.1750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -12.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 5 11 1 1 0 0 0 2 12 1 1 0 0 0 1 13 1 6 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 4 19 1 6 0 0 0 3 20 1 1 0 0 0 3 21 1 6 0 0 0 20 21 1 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 7 26 1 6 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 9 30 1 6 0 0 0 10 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 31 1 0 0 0 0 33 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 34 1 0 0 0 0 33 39 1 1 0 0 0 34 40 1 1 0 0 0 10 41 1 6 0 0 0 31 42 1 6 0 0 0 15 43 1 1 0 0 0 M END > CFN97439 > Dihydroajugapitin > 87480-84-0 > 98% > C29H44O10 > 552.7 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Dihydroajugapitin-CFN97439.html $$$$ -ISIS- 10201511232D 25 27 0 0 0 0 0 0 0 0999 V2000 4.3000 -9.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -10.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -10.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -10.2125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8750 -9.3042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0917 -8.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 -10.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 -10.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 -9.3042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6625 -8.8500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0917 -11.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 -7.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 -7.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -8.3958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 -8.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2417 -8.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -11.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2417 -6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 -5.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 -6.1250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2417 -5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0250 -4.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -8.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -6.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 3 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 5 14 1 1 0 0 0 10 15 1 6 0 0 0 9 16 1 6 0 0 0 4 17 1 6 0 0 0 13 18 1 0 0 0 0 20 21 1 0 0 0 0 21 18 1 0 0 0 0 19 22 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 18 19 2 0 0 0 0 1 24 2 0 0 0 0 21 25 1 0 0 0 0 M END > CFN97965 > 16-Hydroxy-2-oxocleroda-3,13-dien-15,16-olide > 165459-53-0 > 98% > C20H28O4 > 332.4 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/16-Hydroxy-2-oxocleroda-3-13-dien-15-16-olide-CFN97965.html $$$$ -ISIS- 10201511232D 26 28 0 0 0 0 0 0 0 0999 V2000 4.3000 -9.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -10.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -10.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -10.2125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8750 -9.3042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0917 -8.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 -10.6667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4500 -10.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 -9.3042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6625 -8.8500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0917 -11.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 -7.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 -7.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -8.3958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 -8.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2417 -8.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -11.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2417 -6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 -5.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 -6.1250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2417 -5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0250 -4.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -6.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -12.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 -11.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 3 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 5 14 1 1 0 0 0 10 15 1 6 0 0 0 9 16 1 6 0 0 0 4 17 1 6 0 0 0 13 18 1 0 0 0 0 20 21 1 0 0 0 0 21 18 1 0 0 0 0 19 22 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 18 19 2 0 0 0 0 21 24 1 0 0 0 0 11 25 1 0 0 0 0 7 26 1 6 0 0 0 M END > CFN97990 > 6alpha,16,18-Trihydroxycleroda-3,13-dien-15,16-olide > 1017233-48-5 > 98% > C20H30O5 > 350.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/6alpha-16-18-Trihydroxycleroda-3-13-dien-15-16-olide-CFN97990.html $$$$ -ISIS- 10201511232D 41 43 0 0 0 0 0 0 0 0999 V2000 2.1458 -6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 -7.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9333 -7.5750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7167 -7.1208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7167 -6.2125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9333 -5.7583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5042 -7.5750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2958 -7.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -6.2125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5042 -5.7583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5042 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -4.3917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7167 -5.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -3.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -2.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -8.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -8.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -9.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -8.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -4.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 -4.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -3.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 -4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -8.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1708 -8.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -9.2417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -8.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 -8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -9.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -10.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 5 13 1 1 0 0 0 10 14 1 6 0 0 0 9 15 1 6 0 0 0 4 16 1 6 0 0 0 12 17 1 0 0 0 0 19 20 1 0 0 0 0 20 17 1 0 0 0 0 18 21 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 17 18 2 0 0 0 0 7 23 1 6 0 0 0 16 38 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 12 27 1 6 0 0 0 6 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 36 37 1 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 38 40 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 G 38 16 OAc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 38 39 40 41 M SBL 1 1 23 M SMT 1 OAc M SBV 1 23 -0.2400 0.8800 M END > CFN92759 > Ajugamarin chlorohydrin > 85447-27-4 > 98% > C29H41ClO10 > 585.1 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Ajugamarin-chlorohydrin-CFN92759.html $$$$ -ISIS- 10201511232D 34 37 0 0 0 0 0 0 0 0999 V2000 2.8458 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8458 -8.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -9.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -8.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3583 -8.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6042 -7.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -9.3125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8750 -8.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8750 -8.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1167 -7.5667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6042 -10.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -9.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -9.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -10.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -10.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -11.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -10.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -11.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -12.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -13.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -12.8083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -11.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -7.2708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -7.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -8.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -8.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -4.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 -3.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 6 0 0 0 10 13 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 13 19 2 0 0 0 0 19 20 1 0 0 0 0 17 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 17 1 0 0 0 0 5 26 1 1 0 0 0 7 15 1 6 0 0 0 8 14 1 1 0 0 0 9 27 1 1 0 0 0 9 28 1 6 0 0 0 10 29 1 6 0 0 0 20 30 1 0 0 0 0 20 31 2 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 M END > CFN99028 > 6-O-Nicotinoylbarbatin C > 1015776-92-7 > 98% > C26H31NO6 > 453.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/6-O-Nicotinoylbarbatin-C-CFN99028.html $$$$ -ISIS- 10201511232D 42 46 0 0 0 0 0 0 0 0999 V2000 2.8458 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8458 -8.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -9.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -8.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3583 -8.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6042 -7.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -9.3125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8750 -8.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8750 -8.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1167 -7.5667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6042 -10.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -9.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -9.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -10.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -10.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -11.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 -8.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1458 -9.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 -8.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -10.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1458 -10.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9042 -10.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6583 -10.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6583 -9.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9042 -8.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -11.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -12.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -13.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -12.8083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -11.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -7.2708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -7.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -8.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -8.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -4.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 -3.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 6 0 0 0 10 13 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 16 21 2 0 0 0 0 13 22 2 0 0 0 0 22 23 1 0 0 0 0 19 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 19 1 0 0 0 0 17 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 17 1 0 0 0 0 5 34 1 1 0 0 0 7 15 1 6 0 0 0 8 14 1 1 0 0 0 9 35 1 1 0 0 0 9 36 1 6 0 0 0 10 37 1 6 0 0 0 23 38 1 0 0 0 0 23 39 2 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 M END > CFN97471 > Scutebarbatine B > 905929-95-5 > 98% > C33H35NO7 > 557.6 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Scutebarbatine-B-CFN97471.html $$$$ -ISIS- 10201511232D 42 46 0 0 0 0 0 0 0 0999 V2000 2.8458 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8458 -8.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -9.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -8.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3583 -8.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6042 -7.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -9.3125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8750 -8.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8750 -8.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1167 -7.5667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6042 -10.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -9.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -9.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -10.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -10.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -11.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 -8.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1458 -9.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 -8.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -10.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1458 -10.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9042 -10.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6583 -10.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6583 -9.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9042 -8.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -11.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -12.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -13.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -12.8083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -11.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -7.2708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -7.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -8.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -8.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -4.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 -3.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 6 0 0 0 10 13 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 16 21 2 0 0 0 0 13 22 2 0 0 0 0 22 23 1 0 0 0 0 19 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 19 1 0 0 0 0 17 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 17 1 0 0 0 0 5 34 1 1 0 0 0 7 15 1 6 0 0 0 8 14 1 1 0 0 0 9 35 1 1 0 0 0 9 36 1 6 0 0 0 10 37 1 6 0 0 0 23 38 1 0 0 0 0 23 39 2 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 M END > CFN99832 > Scutebarbatine A > 176520-13-1 > 98% > C32H34N2O7 > 558.6 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Scutebarbatine-A-CFN99832.html $$$$ -ISIS- 10201511232D 39 42 0 0 0 0 0 0 0 0999 V2000 2.9167 -7.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -8.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -9.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -8.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3875 -7.8750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6542 -7.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -9.1500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8625 -8.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8625 -7.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1250 -7.4500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6542 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -9.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -6.6000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6000 -9.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -10.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -10.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -11.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -10.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -6.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -11.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -12.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -12.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -12.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -11.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -7.1625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 -7.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6833 -8.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -8.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -4.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -4.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -3.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -5.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 6 0 0 0 10 13 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 13 20 1 0 0 0 0 20 21 1 0 0 0 0 17 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 17 1 0 0 0 0 5 27 1 1 0 0 0 13 19 1 1 0 0 0 7 15 1 6 0 0 0 8 14 1 1 0 0 0 9 28 1 1 0 0 0 9 29 1 6 0 0 0 10 30 1 6 0 0 0 31 19 1 0 0 0 0 32 31 1 0 0 0 0 31 33 2 0 0 0 0 21 34 1 0 0 0 0 21 35 2 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 35 39 1 0 0 0 0 M END > CFN99324 > Scutebata C > 1207181-59-6 > 98% > C28H35NO9 > 529.6 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Scutebata-C-CFN99324.html $$$$ -ISIS- 10201511232D 47 51 0 0 0 0 0 0 0 0999 V2000 2.9167 -7.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -8.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -9.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -8.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3875 -7.8750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6542 -7.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -9.1500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8625 -8.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8625 -7.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1250 -7.4500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6542 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -9.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -6.6000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6000 -9.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -10.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -10.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -11.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -8.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0708 -9.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -7.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -10.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -6.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0708 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8083 -10.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5417 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5417 -9.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8083 -8.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -11.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -12.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -12.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -12.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -11.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -7.1625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 -7.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6833 -8.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -8.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -4.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -4.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -3.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -5.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 6 0 0 0 10 13 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 16 21 2 0 0 0 0 13 23 1 0 0 0 0 23 24 1 0 0 0 0 19 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 19 1 0 0 0 0 17 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 17 1 0 0 0 0 5 35 1 1 0 0 0 13 22 1 1 0 0 0 7 15 1 6 0 0 0 8 14 1 1 0 0 0 9 36 1 1 0 0 0 9 37 1 6 0 0 0 10 38 1 6 0 0 0 39 22 1 0 0 0 0 40 39 1 0 0 0 0 39 41 2 0 0 0 0 24 42 1 0 0 0 0 24 43 2 0 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 43 47 1 0 0 0 0 M END > CFN99323 > Scutebata B > 1207181-58-5 > 98% > C35H39NO10 > 633.7 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Scutebata-B-CFN99323.html $$$$ -ISIS- 10201511232D 47 51 0 0 0 0 0 0 0 0999 V2000 2.9167 -7.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -8.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -9.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -8.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3875 -7.8750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6542 -7.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -9.1500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8625 -8.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8625 -7.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1250 -7.4500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6542 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -9.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -6.6000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6000 -9.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -10.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -10.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -11.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -8.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0708 -9.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -7.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -10.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -6.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0708 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8083 -10.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5417 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5417 -9.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8083 -8.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -11.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -12.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -12.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -12.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -11.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -7.1625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 -7.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6833 -8.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -8.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -4.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -4.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -3.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -5.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 6 0 0 0 10 13 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 16 21 2 0 0 0 0 13 23 1 0 0 0 0 23 24 1 0 0 0 0 19 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 19 1 0 0 0 0 17 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 17 1 0 0 0 0 5 35 1 1 0 0 0 13 22 1 1 0 0 0 7 15 1 6 0 0 0 8 14 1 1 0 0 0 9 36 1 1 0 0 0 9 37 1 6 0 0 0 10 38 1 6 0 0 0 39 22 1 0 0 0 0 40 39 1 0 0 0 0 39 41 2 0 0 0 0 24 42 1 0 0 0 0 24 43 2 0 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 43 47 1 0 0 0 0 M END > CFN99322 > Scutebata A > 1207181-57-4 > 98% > C36H40O10 > 632.7 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Scutebata-A-CFN99322.html $$$$ -ISIS- 10201511232D 25 27 0 0 0 0 0 0 0 0999 V2000 3.5875 -8.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -9.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -10.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 -9.7667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1208 -8.8833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3542 -8.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -10.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -9.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -8.8833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8875 -8.4375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3542 -11.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -7.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 -7.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -7.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4208 -8.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 -10.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 -11.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -11.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4208 -5.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -4.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -5.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4208 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 -6.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 3 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 5 14 1 1 0 0 0 10 15 1 6 0 0 0 9 16 1 6 0 0 0 4 17 1 6 0 0 0 18 11 1 0 0 0 0 11 19 2 0 0 0 0 13 20 1 0 0 0 0 22 23 1 0 0 0 0 23 20 1 0 0 0 0 21 24 1 0 0 0 0 22 24 1 0 0 0 0 20 21 2 0 0 0 0 23 25 2 0 0 0 0 M END > CFN98392 > Echinophyllin C > 310433-44-4 > 98% > C20H29NO3 > 331.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Echinophyllin-C-CFN98392.html $$$$ -ISIS- 10201511232D 26 28 0 0 0 0 0 0 0 0999 V2000 4.0958 -8.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0958 -9.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -10.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -9.6833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6708 -8.7708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8792 -8.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4583 -10.1375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2458 -9.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2458 -8.7708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4583 -8.3167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8792 -11.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4583 -7.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2458 -6.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -7.8625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2458 -7.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0333 -8.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -10.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -11.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0958 -11.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2458 -6.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0333 -5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4583 -4.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4583 -5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0333 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -6.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4583 -11.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 3 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 5 14 1 1 0 0 0 10 15 1 6 0 0 0 9 16 1 6 0 0 0 4 17 1 6 0 0 0 18 11 1 0 0 0 0 11 19 2 0 0 0 0 13 20 1 0 0 0 0 22 23 1 0 0 0 0 23 20 1 0 0 0 0 21 24 1 0 0 0 0 22 24 1 0 0 0 0 20 21 2 0 0 0 0 23 25 2 0 0 0 0 7 26 1 6 0 0 0 M END > CFN96028 > 6alpha-Hydroxycleroda-3,13-dien-16,15-olid-18-oic acid > 771493-42-6 > 98% > C20H28O5 > 348.4 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/6alpha-Hydroxycleroda-3-13-dien-16-15-olid-18-oic-acid-CFN96028.html $$$$ -ISIS- 10201511232D 26 28 0 0 0 0 0 0 0 0999 V2000 3.5875 -8.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -9.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -10.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 -9.7667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1208 -8.8833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3542 -8.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -10.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -9.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -8.8833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8875 -8.4375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3542 -11.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -7.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 -7.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -7.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4208 -8.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 -10.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 -11.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -11.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4208 -5.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -4.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -5.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4208 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 -4.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -11.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 3 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 5 14 1 1 0 0 0 10 15 1 6 0 0 0 9 16 1 6 0 0 0 4 17 1 6 0 0 0 18 11 1 0 0 0 0 11 19 2 0 0 0 0 13 20 1 0 0 0 0 22 23 1 0 0 0 0 23 20 1 0 0 0 0 21 24 1 0 0 0 0 22 24 1 0 0 0 0 20 21 2 0 0 0 0 24 25 2 0 0 0 0 18 26 1 0 0 0 0 M END > CFN97154 > Clerodermic acid methyl ester > 67650-47-9 > 98% > C21H30O4 > 346.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Clerodermic-acid-methyl-ester-CFN97154.html $$$$ -ISIS- 10201511232D 27 29 0 0 0 0 0 0 0 0999 V2000 3.5875 -8.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -9.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -10.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 -9.7667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1208 -8.8833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3542 -8.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -10.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -9.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -8.8833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8875 -8.4375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3542 -11.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -7.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 -7.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -7.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4208 -8.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 -10.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 -11.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -11.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4208 -5.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -4.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -5.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4208 -4.9000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1208 -6.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 -4.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9542 -4.9000 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 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 3 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 5 14 1 1 0 0 0 10 15 1 6 0 0 0 9 16 1 6 0 0 0 4 17 1 6 0 0 0 18 11 1 0 0 0 0 11 19 2 0 0 0 0 13 20 1 0 0 0 0 22 23 1 0 0 0 0 23 20 1 0 0 0 0 21 24 1 0 0 0 0 22 24 1 0 0 0 0 20 21 2 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 M END > CFN99259 > 15,16-Dihydro-15-methoxy-16-oxohardwickiic acid > 115783-35-2 > 98% > C21H30O5 > 362.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/15-16-Dihydro-15-methoxy-16-oxohardwickiic-acid-CFN99259.html $$$$ -ISIS- 10201511232D 28 30 0 0 0 0 0 0 0 0999 V2000 4.6667 -7.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -8.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4583 -8.7917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2417 -8.3375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2417 -7.4292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4583 -6.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -8.7917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8208 -8.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8208 -7.4292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0292 -6.9750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0292 -6.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8208 -5.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2417 -6.5208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8208 -6.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -6.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 -9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8208 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -4.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -3.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -4.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3917 -2.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -9.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -6.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4583 -9.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -10.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 -10.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -9.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 5 13 1 1 0 0 0 10 14 1 6 0 0 0 9 15 1 6 0 0 0 4 16 1 6 0 0 0 12 17 1 0 0 0 0 19 20 1 0 0 0 0 20 17 1 0 0 0 0 18 21 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 17 18 2 0 0 0 0 7 23 1 6 0 0 0 12 24 1 1 0 0 0 3 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 26 28 1 0 0 0 0 M END > CFN92760 > Ajugalide D > 853247-65-1 > 98% > C21H32O6 > 380.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Ajugalide-D-CFN92760.html $$$$ -ISIS- 10201511232D 24 26 0 0 0 0 0 0 0 0999 V2000 4.0917 -6.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -7.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8708 -7.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -7.3375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6542 -6.4333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8708 -5.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 -7.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -7.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -6.4333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4375 -5.9833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8708 -8.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 -3.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6708 -2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 -2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4875 -3.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -5.5292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -5.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -8.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -9.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -9.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 3 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 14 1 0 0 0 0 5 19 1 1 0 0 0 10 20 1 6 0 0 0 9 21 1 6 0 0 0 4 22 1 6 0 0 0 23 11 1 0 0 0 0 11 24 2 0 0 0 0 M END > CFN99836 > Hardwickiic acid > 1782-65-6 > 98% > C20H28O3 > 316.4 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Hardwickiic-acid-CFN99836.html $$$$ -ISIS- 10201511232D 25 27 0 0 0 0 0 0 0 0999 V2000 4.0958 -7.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0958 -8.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -8.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -8.2250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6708 -7.3125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8792 -6.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -8.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2458 -8.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2458 -7.3125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4625 -6.8583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4625 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -6.4042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0375 -6.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2458 -6.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2458 -5.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2458 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -3.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -9.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -10.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0958 -10.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -9.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -9.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 10 11 1 0 0 0 0 5 12 1 1 0 0 0 9 13 1 6 0 0 0 10 14 1 6 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 16 1 0 0 0 0 3 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 4 24 1 6 0 0 0 24 25 1 0 0 0 0 M END > CFN97799 > Hautriwaic acid > 18411-75-1 > 98% > C20H28O4 > 332.44 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Hautriwaic-acid-CFN97799.html $$$$ -ISIS- 10201511232D 26 29 0 0 0 0 0 0 0 0999 V2000 4.6167 -7.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -8.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 -8.6417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1833 -8.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1833 -7.2833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3958 -6.8333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9708 -8.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 -8.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 -7.2833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9708 -6.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3958 -5.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9708 -5.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 -6.3792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5333 -6.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 -4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -4.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2000 -3.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2958 -3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -4.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 -9.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 -9.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 -9.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -9.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -9.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 6 11 1 6 0 0 0 10 12 1 0 0 0 0 5 13 1 1 0 0 0 9 14 1 6 0 0 0 10 15 1 6 0 0 0 12 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 17 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 6 0 0 0 4 23 1 6 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 M END > CFN97754 > Methyl dodonate A > 349534-70-9 > 98% > C21H28O4 > 344.45 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Methyl-dodonate-A-CFN97754.html $$$$ -ISIS- 10201511232D 29 32 0 0 0 0 0 0 0 0999 V2000 4.6167 -7.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -8.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 -8.6417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1833 -8.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1833 -7.2833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3958 -6.8333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9708 -8.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 -8.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 -7.2833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9708 -6.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3958 -5.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9708 -5.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 -6.3792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5333 -6.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 -4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -4.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2000 -3.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2958 -3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -4.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 -9.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 -9.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 -9.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -9.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -9.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8333 -5.9333 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 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 6 11 1 6 0 0 0 10 12 1 0 0 0 0 5 13 1 1 0 0 0 9 14 1 6 0 0 0 10 15 1 6 0 0 0 12 16 1 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 1 0 0 0 0 20 21 2 0 0 0 0 21 17 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 6 0 0 0 4 23 1 6 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 11 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 M END > CFN97755 > Methyl dodonate A acetate > 349487-98-5 > 98% > C23H30O5 > 386.49 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Methyl-dodonate-A-acetate-CFN97755.html $$$$ -ISIS- 10201511232D 28 32 0 0 0 0 0 0 0 0999 V2000 4.3125 -7.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3125 -8.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1083 -9.3625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9042 -8.9042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9042 -7.9875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1083 -7.5250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6958 -9.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -8.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -7.9875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6958 -7.5250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9042 -7.0667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -9.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6958 -8.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2875 -7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2875 -6.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -6.1500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6958 -6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0792 -7.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2875 -8.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2333 -4.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 -3.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0333 -3.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -4.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1083 -10.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -9.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6583 -7.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -10.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 5 11 1 6 0 0 0 4 12 1 6 0 0 0 10 13 1 1 0 0 0 9 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 10 1 0 0 0 0 14 18 2 0 0 0 0 9 19 1 1 0 0 0 16 20 1 1 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 20 1 0 0 0 0 3 25 1 1 0 0 0 27 26 1 0 0 0 0 6 27 1 6 0 0 0 3 26 1 6 0 0 0 26 28 2 0 0 0 0 M END > CFN90480 > Columbin > 546-97-4 > 98% > C20H22O6 > 358.39 > Cryst. > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Columbin--CFN90480.html $$$$ -ISIS- 10201511232D 28 32 0 0 0 0 0 0 0 0999 V2000 4.3125 -7.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3125 -8.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1083 -9.3625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9042 -8.9042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9042 -7.9875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1083 -7.5250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6958 -9.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -8.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -7.9875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6958 -7.5250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9042 -7.0667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -9.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6958 -8.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2875 -7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2875 -6.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -6.1500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6958 -6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0792 -7.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2875 -8.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2333 -4.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 -3.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0333 -3.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -4.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1083 -10.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -9.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6583 -7.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -10.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 5 11 1 6 0 0 0 4 12 1 6 0 0 0 10 13 1 1 0 0 0 9 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 10 1 0 0 0 0 14 18 2 0 0 0 0 9 19 1 6 0 0 0 16 20 1 1 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 20 1 0 0 0 0 3 25 1 1 0 0 0 27 26 1 0 0 0 0 6 27 1 6 0 0 0 3 26 1 6 0 0 0 26 28 2 0 0 0 0 M END > CFN98538 > Isocolumbin > 471-54-5 > 98% > C20H22O6 > 358.39 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Isocolumbin-CFN98538.html $$$$ -ISIS- 10201511232D 26 30 0 0 0 0 0 0 0 0999 V2000 -0.0667 -6.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0667 -7.4542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7208 -7.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -7.4542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5042 -6.5458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7208 -6.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -7.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -7.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -6.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -6.0917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5042 -8.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0667 -8.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -5.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7458 -4.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -4.6917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5583 -5.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -4.6917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -2.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3833 -2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -9.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -5.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -6.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -5.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 4 11 1 6 0 0 0 2 12 1 6 0 0 0 10 13 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 10 16 1 1 0 0 0 15 17 1 6 0 0 0 15 18 1 1 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 18 1 0 0 0 0 12 11 1 0 0 0 0 11 23 2 0 0 0 0 13 24 2 0 0 0 0 9 25 2 0 0 0 0 5 26 1 1 0 0 0 M END > CFN90388 > Levatin > 140670-84-4 > 98% > C19H20O5 > 328.36 > Cryst. > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Levatin-CFN90388.html $$$$ -ISIS- 10201511232D 29 33 0 0 0 0 0 0 0 0999 V2000 -0.0667 -6.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0667 -7.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7208 -7.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -7.4542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5042 -6.5458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7208 -6.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -7.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -7.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -6.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -6.0917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5042 -8.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -5.5583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7458 -4.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -4.6917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5583 -5.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -4.6917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -2.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3833 -2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -9.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -5.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6833 -7.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7208 -8.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -9.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0667 -9.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8542 -8.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -6.0917 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 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 4 11 1 6 0 0 0 10 12 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 10 15 1 1 0 0 0 14 16 1 6 0 0 0 14 17 1 1 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 17 1 0 0 0 0 11 22 2 0 0 0 0 5 23 1 1 0 0 0 11 24 1 0 0 0 0 12 24 1 0 0 0 0 3 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 9 29 2 0 0 0 0 M END > CFN90375 > Croverin > 76475-17-7 > 98% > C21H22O6 > 370.40 > Cryst. > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Croverin-CFN90375.html $$$$ -ISIS- 10201511232D 29 34 0 0 0 0 0 0 0 0999 V2000 -0.0667 -6.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0667 -7.4542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7208 -7.9083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5042 -7.4542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5042 -6.5458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7208 -6.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -7.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -7.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -6.5458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2917 -6.0917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1583 -6.9708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0292 -5.5583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7458 -4.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -4.6917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5583 -5.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -4.6917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -2.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3833 -2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -5.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7208 -8.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -9.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0667 -9.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8542 -8.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8708 -7.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -6.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 10 5 1 0 0 0 0 4 11 1 6 0 0 0 10 12 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 10 15 1 1 0 0 0 14 16 1 6 0 0 0 14 17 1 1 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 17 1 0 0 0 0 5 22 1 1 0 0 0 11 23 1 0 0 0 0 12 23 1 6 0 0 0 3 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 2 28 1 6 0 0 0 28 11 1 6 0 0 0 9 29 1 6 0 0 0 10 9 1 0 0 0 0 M END > CFN90374 > Crovatin > 142409-09-4 > 98% > C21H26O6 > 374.43 > Cryst. > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Crovatin-CFN90374.html $$$$