-ISIS- 10201511232D 24 26 0 0 0 0 0 0 0 0999 V2000 3.6250 -8.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -8.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4083 -9.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1917 -8.9125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1917 -8.0083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4083 -7.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -9.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -8.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -8.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -7.5583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9750 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -6.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -5.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -7.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -9.8167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -7.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -3.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -7.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 5 14 1 1 0 0 0 4 15 1 6 0 0 0 3 16 1 1 0 0 0 3 17 1 6 0 0 0 11 10 1 0 0 0 0 10 18 1 6 0 0 0 13 19 1 0 0 0 0 13 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 9 23 2 0 0 0 0 22 24 2 0 0 0 0 M END > CFN97324 > 8(17),13-Labdadien-15,16-olide > 83324-51-0 > 98% > C20H30O2 > 302.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/8-17-13-Labdadien-15-16-olide-CFN97324.html $$$$ -ISIS- 10201511232D 25 27 0 0 0 0 0 0 0 0999 V2000 3.6250 -8.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -8.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4083 -9.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1917 -8.9125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1917 -8.0083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4083 -7.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -9.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -8.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -8.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -7.5583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9750 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -6.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -5.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -7.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -9.8167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -7.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -4.8458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5375 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -3.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -7.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -5.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 5 14 1 1 0 0 0 4 15 1 6 0 0 0 3 16 1 1 0 0 0 3 17 1 6 0 0 0 11 10 1 0 0 0 0 10 18 1 6 0 0 0 13 19 1 0 0 0 0 13 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 9 23 2 0 0 0 0 22 24 2 0 0 0 0 19 25 1 0 0 0 0 M END > CFN97409 > Chinensine B > 849245-34-7 > 98% > C20H28O3 > 316.4 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Chinensine-B-CFN97409.html $$$$ -ISIS- 10201511232D 28 30 0 0 0 0 0 0 0 0999 V2000 3.6250 -8.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -8.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4083 -9.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1917 -8.9125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1917 -8.0083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4083 -7.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -9.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7583 -8.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -8.0083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9750 -7.5583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9750 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -6.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -5.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -7.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -9.8167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -7.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -3.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -7.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -10.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -10.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -11.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -10.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 5 14 1 1 0 0 0 4 15 1 6 0 0 0 3 16 1 1 0 0 0 3 17 1 6 0 0 0 11 10 1 0 0 0 0 10 18 1 6 0 0 0 13 19 1 0 0 0 0 13 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 9 23 1 6 0 0 0 22 24 2 0 0 0 0 7 25 1 1 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M END > CFN97047 > Vitexilactone > 61263-49-8 > 98% > C22H34O5 > 378.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Vitexilactone-CFN97047.html $$$$ -ISIS- 10201511232D 25 27 0 0 0 0 0 0 0 0999 V2000 3.9458 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9458 -8.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -9.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5125 -8.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5125 -8.0125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7292 -7.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -9.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -8.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -7.5625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2917 -6.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -6.2042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0750 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -7.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -9.8167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -7.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -7.1083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -3.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -5.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -6.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 5 14 1 1 0 0 0 4 15 1 6 0 0 0 3 16 1 1 0 0 0 3 17 1 6 0 0 0 9 18 2 0 0 0 0 11 10 1 0 0 0 0 10 19 1 6 0 0 0 13 20 1 0 0 0 0 13 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 23 1 0 0 0 0 20 24 2 0 0 0 0 12 25 1 6 0 0 0 M END > CFN97538 > 12-Hydroxy-8(17),13-labdadien-16,15-olide > 958885-86-4 > 98% > C20H30O3 > 318.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/12-Hydroxy-8-17-13-labdadien-16-15-olide-CFN97538.html $$$$ -ISIS- 10201511232D 24 26 0 0 0 0 0 0 0 0999 V2000 3.9458 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9458 -8.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -9.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5125 -8.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5125 -8.0125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7292 -7.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -9.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -8.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -7.5625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2917 -6.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -7.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -9.8167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -7.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -7.1083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -3.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -5.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 5 14 1 1 0 0 0 4 15 1 6 0 0 0 3 16 1 1 0 0 0 3 17 1 6 0 0 0 9 18 2 0 0 0 0 11 10 1 0 0 0 0 10 19 1 6 0 0 0 13 20 1 0 0 0 0 13 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 23 1 0 0 0 0 20 24 2 0 0 0 0 M END > CFN99674 > Villosin > 160598-92-5 > 98% > C20H28O2 > 300.4 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Villosin-CFN99674.html $$$$ -ISIS- 10201511232D 25 28 0 0 0 0 0 0 0 0999 V2000 3.6250 -8.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -8.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4083 -9.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1917 -8.9125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1917 -8.0083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4083 -7.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -9.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -8.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -8.0083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9750 -7.5583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9750 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -6.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -5.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -7.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -9.8167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -7.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -3.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3208 -5.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -7.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -8.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 5 14 1 1 0 0 0 4 15 1 6 0 0 0 3 16 1 1 0 0 0 3 17 1 6 0 0 0 11 10 1 0 0 0 0 10 18 1 6 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 20 23 2 0 0 0 0 9 24 1 6 0 0 0 9 25 1 1 0 0 0 24 25 1 0 0 0 0 M END > CFN99258 > Galanolactone > 115753-79-2 > 98% > C20H30O3 > 318.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Galanolactone-CFN99258.html $$$$ -ISIS- 10201511232D 25 27 0 0 0 0 0 0 0 0999 V2000 3.6250 -8.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -8.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4083 -9.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1917 -8.9125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1917 -8.0083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4083 -7.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -9.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -8.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -8.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -7.5583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9750 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -6.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -5.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -7.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -9.8167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -7.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -4.8458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5375 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -3.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3208 -5.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -7.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -5.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 5 14 1 1 0 0 0 4 15 1 6 0 0 0 3 16 1 1 0 0 0 3 17 1 6 0 0 0 11 10 1 0 0 0 0 10 18 1 6 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 20 23 2 0 0 0 0 9 24 2 0 0 0 0 19 25 1 0 0 0 0 M END > CFN99438 > Isocoronarin D > 138965-88-5 > 98% > C20H30O3 > 318.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Isocoronarin-D-CFN99438.html $$$$ -ISIS- 10201511232D 25 27 0 0 0 0 0 0 0 0999 V2000 3.6250 -8.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -8.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4083 -9.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1917 -8.9125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1917 -8.0083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4083 -7.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -9.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -8.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -8.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -7.5583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9750 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -6.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -5.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -7.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -9.8167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -7.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -3.9417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5375 -3.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3208 -5.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -7.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -3.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 5 14 1 1 0 0 0 4 15 1 6 0 0 0 3 16 1 1 0 0 0 3 17 1 6 0 0 0 11 10 1 0 0 0 0 10 18 1 6 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 20 23 2 0 0 0 0 9 24 2 0 0 0 0 21 25 1 0 0 0 0 M END > CFN99302 > Coronarin D > 119188-37-3 > 98% > C20H30O3 > 318.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Coronarin-D-CFN99302.html $$$$ -ISIS- 10201511232D 26 28 0 0 0 0 0 0 0 0999 V2000 3.6250 -8.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -8.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4083 -9.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1917 -8.9125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1917 -8.0083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4083 -7.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -9.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -8.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -8.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -7.5583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9750 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -6.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -5.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -7.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -9.8167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -7.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -3.9417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5375 -3.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3208 -5.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -7.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -3.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4083 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 5 14 1 1 0 0 0 4 15 1 6 0 0 0 3 16 1 1 0 0 0 3 17 1 6 0 0 0 11 10 1 0 0 0 0 10 18 1 6 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 20 23 2 0 0 0 0 9 24 2 0 0 0 0 21 25 1 0 0 0 0 25 26 1 0 0 0 0 M END > CFN99667 > Coronarin D methyl ether > 157528-81-9 > 98% > C21H32O3 > 332.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Coronarin-D-methyl-ether-CFN99667.html $$$$ -ISIS- 10201511232D 27 29 0 0 0 0 0 0 0 0999 V2000 3.6250 -8.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -8.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4083 -9.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1917 -8.9125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1917 -8.0083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4083 -7.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -9.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -8.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -8.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -7.5583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9750 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -6.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -5.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -7.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -9.8167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -7.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -3.9417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5375 -3.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3208 -5.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -7.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -3.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4083 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 5 14 1 1 0 0 0 4 15 1 6 0 0 0 3 16 1 1 0 0 0 3 17 1 6 0 0 0 11 10 1 0 0 0 0 10 18 1 6 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 20 23 2 0 0 0 0 9 24 2 0 0 0 0 21 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 M END > CFN99439 > Coronarin D ethyl ether > 138965-89-6 > 98% > C22H34O3 > 346.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Coronarin-D-ethyl-ether-CFN99439.html $$$$ -ISIS- 10201511232D 27 29 0 0 0 0 0 0 0 0999 V2000 4.5167 -8.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -9.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3292 -9.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1500 -9.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1500 -8.1208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3292 -7.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -9.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7875 -9.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7875 -8.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -7.6458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1500 -7.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6000 -7.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -9.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -10.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -10.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 -6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 -5.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7458 -10.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1500 -10.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9625 -4.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6000 -4.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9625 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6000 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4167 -5.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1500 -5.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7875 -7.1833 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 5 11 1 6 0 0 0 9 13 2 0 0 0 0 2 14 1 6 0 0 0 3 15 1 6 0 0 0 3 16 1 1 0 0 0 12 17 1 0 0 0 0 17 18 2 0 0 0 0 15 19 1 0 0 0 0 4 20 1 1 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 24 1 0 0 0 0 21 26 2 0 0 0 0 10 27 1 1 0 0 0 12 10 1 0 0 0 0 22 25 1 1 0 0 0 M END > CFN97600 > Andropanolide > 869807-57-8 > 98% > C20H30O5 > 350.45 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Andropanolide-CFN97600.html $$$$ -ISIS- 10201511232D 27 29 0 0 0 0 0 0 0 0999 V2000 4.6417 -8.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -8.9708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4417 -9.4375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2458 -8.9708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2458 -8.0458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4417 -7.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -9.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -8.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -8.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -7.5833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2458 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 -7.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -9.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -10.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -10.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8458 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8458 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -10.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2458 -9.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -4.8000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6542 -4.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 -3.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4583 -5.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2458 -5.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -7.1167 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 5 11 1 6 0 0 0 9 13 2 0 0 0 0 2 14 1 6 0 0 0 3 15 1 6 0 0 0 3 16 1 1 0 0 0 12 17 1 0 0 0 0 17 18 2 0 0 0 0 15 19 1 0 0 0 0 4 20 1 1 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 24 1 0 0 0 0 22 25 2 0 0 0 0 21 26 1 6 0 0 0 10 27 1 1 0 0 0 12 10 1 0 0 0 0 M END > CFN98923 > Andrographolide > 5508-58-7 > 98% > C20H30O5 > 350.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Andrographolide-CFN98923.html $$$$ -ISIS- 10201511232D 26 28 0 0 0 0 0 0 0 0999 V2000 4.6375 -8.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -8.9583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4333 -9.4208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2375 -8.9583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2375 -8.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4333 -7.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -9.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -8.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -8.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -7.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2375 -7.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -6.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 -7.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8333 -9.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -10.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 -10.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -6.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -5.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8208 -10.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -9.8833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0333 -4.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 -4.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0333 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 -3.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -5.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -7.1083 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 5 11 1 6 0 0 0 9 13 2 0 0 0 0 2 14 1 6 0 0 0 3 15 1 6 0 0 0 3 16 1 1 0 0 0 12 17 2 0 0 0 0 17 18 1 0 0 0 0 15 19 1 0 0 0 0 4 20 1 1 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 24 1 0 0 0 0 22 25 2 0 0 0 0 10 26 1 1 0 0 0 12 10 1 0 0 0 0 M END > CFN98666 > 14-Deoxy-11,12-didehydroandrographolide > 42895-58-9 > 98% > C20H28O4 > 332.4 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/14-Deoxy-11-12-didehydroandrographolide-CFN98666.html $$$$ -ISIS- 10201511232D 26 28 0 0 0 0 0 0 0 0999 V2000 4.6375 -8.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -8.9583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4333 -9.4208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2375 -8.9583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2375 -8.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4333 -7.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -9.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -8.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -8.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -7.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2375 -7.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -6.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 -7.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8333 -9.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -10.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 -10.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -6.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -5.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8208 -10.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -9.8833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0333 -4.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 -4.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0333 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 -3.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -5.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -7.1083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 5 11 1 6 0 0 0 9 13 2 0 0 0 0 2 14 1 6 0 0 0 3 15 1 6 0 0 0 3 16 1 1 0 0 0 12 17 1 0 0 0 0 17 18 2 0 0 0 0 15 19 1 0 0 0 0 4 20 1 1 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 23 24 1 0 0 0 0 22 25 2 0 0 0 0 10 26 1 1 0 0 0 12 10 1 0 0 0 0 M END > CFN99770 > Dehydroandrographolide > 134418-28-3 > 98% > C20H28O4 > 332.43 > White powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Dehydroandrographolide-CFN99770.html $$$$ -ISIS- 10201511232D 26 28 0 0 0 0 0 0 0 0999 V2000 3.4792 -7.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -8.6708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2750 -9.1333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0792 -8.6708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0792 -7.7458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2750 -7.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -9.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6833 -8.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6833 -7.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -7.2833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0792 -6.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -6.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -7.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -9.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -9.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 -9.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 -5.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -9.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -9.5958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -4.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -4.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -3.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2833 -4.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6833 -6.8208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 5 11 1 6 0 0 0 9 13 2 0 0 0 0 2 14 1 6 0 0 0 3 15 1 6 0 0 0 3 16 1 1 0 0 0 12 17 1 0 0 0 0 17 18 1 0 0 0 0 15 19 1 0 0 0 0 4 20 1 1 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 24 1 0 0 0 0 22 25 2 0 0 0 0 10 26 1 1 0 0 0 12 10 1 0 0 0 0 M END > CFN92802 > 14-Deoxyandrographolide > 4176-97-0 > 98% > C20H30O4 > 334.45 > Cryst. > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/14-Deoxyandrographolide-CFN92802.html $$$$ -ISIS- 10201511232D 25 27 0 0 0 0 0 0 0 0999 V2000 4.6375 -8.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -8.9583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4333 -9.4208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2375 -8.9583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2375 -8.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4333 -7.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -9.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -8.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -8.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -7.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -7.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -6.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 -7.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8333 -9.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -10.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 -10.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -6.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -5.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8208 -10.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -9.8833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0333 -4.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 -4.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0333 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 -3.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -5.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 5 11 1 6 0 0 0 9 13 1 0 0 0 0 2 14 1 6 0 0 0 3 15 1 6 0 0 0 3 16 1 1 0 0 0 12 17 1 0 0 0 0 17 18 1 0 0 0 0 15 19 1 0 0 0 0 4 20 1 1 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 24 1 0 0 0 0 22 25 2 0 0 0 0 12 10 1 0 0 0 0 M END > CFN90518 > Deoxyandrographolide > 79233-15-1 > 98% > C20H30O4 > 334.45 > Cryst. > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Deoxyandrographolide-CFN90518.html $$$$ -ISIS- 10201511232D 27 29 0 0 0 0 0 0 0 0999 V2000 4.6375 -8.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -8.9583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4333 -9.4208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2375 -8.9583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2375 -8.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4333 -7.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -9.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -8.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -8.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0375 -7.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2375 -7.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -6.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 -7.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8333 -9.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -10.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 -10.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -6.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -5.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8208 -10.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -9.8833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0333 -4.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 -4.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0333 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 -3.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -5.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -7.1083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4375 -8.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 5 11 1 6 0 0 0 9 13 1 1 0 0 0 2 14 1 6 0 0 0 3 15 1 6 0 0 0 3 16 1 1 0 0 0 12 17 1 0 0 0 0 17 18 1 0 0 0 0 15 19 1 0 0 0 0 4 20 1 1 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 24 1 0 0 0 0 22 25 2 0 0 0 0 10 26 1 1 0 0 0 12 10 1 0 0 0 0 13 27 1 0 0 0 0 M END > CFN97601 > 14-Deoxy-17-hydroxyandrographolide > 869384-82-7 > 98% > C20H32O5 > 352.47 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/14-Deoxy-17-hydroxyandrographolide-CFN97601.html $$$$ -ISIS- 10201511232D 27 29 0 0 0 0 0 0 0 0999 V2000 4.6375 -8.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -8.9583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4333 -9.4208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2375 -8.9583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2375 -8.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4333 -7.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -9.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -8.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -8.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -7.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2375 -7.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -6.6458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6375 -7.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8333 -9.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -10.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 -10.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -6.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -5.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8208 -10.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -9.8833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0333 -4.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 -4.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0333 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 -3.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -5.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -7.1083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 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 9 13 2 0 0 0 0 2 14 1 6 0 0 0 3 15 1 6 0 0 0 3 16 1 1 0 0 0 12 17 1 0 0 0 0 17 18 1 0 0 0 0 15 19 1 0 0 0 0 4 20 1 1 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 24 1 0 0 0 0 22 25 2 0 0 0 0 10 26 1 1 0 0 0 12 10 1 0 0 0 0 12 27 1 6 0 0 0 M END > CFN97815 > 14-Deoxy-11-hydroxyandrographolide > 160242-09-1 > 98% > C20H30O5 > 350.45 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/14-Deoxy-11-hydroxyandrographolide-CFN97815.html $$$$ -ISIS- 10201511232D 27 29 0 0 0 0 0 0 0 0999 V2000 4.6375 -8.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -8.9583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4333 -9.4208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2375 -8.9583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2375 -8.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4333 -7.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -9.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -8.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -8.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -7.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2375 -7.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -6.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 -7.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8333 -9.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -10.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 -10.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -6.1833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8333 -5.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8208 -10.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -9.8833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0333 -4.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 -4.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0333 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 -3.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -5.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -7.1083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6333 -6.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 5 11 1 6 0 0 0 9 13 2 0 0 0 0 2 14 1 6 0 0 0 3 15 1 6 0 0 0 3 16 1 1 0 0 0 12 17 1 0 0 0 0 17 18 1 0 0 0 0 15 19 1 0 0 0 0 4 20 1 1 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 24 1 0 0 0 0 22 25 2 0 0 0 0 10 26 1 1 0 0 0 12 10 1 0 0 0 0 17 27 1 1 0 0 0 M END > CFN97785 > 14-Deoxy-12-hydroxyandrographolide > 219721-33-2 > 98% > C20H30O5 > 350.45 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/14-Deoxy-12-hydroxyandrographolide-CFN97785.html $$$$ -ISIS- 10201511232D 36 39 0 0 0 0 0 0 0 0999 V2000 6.4000 -7.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 -8.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1375 -8.9708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8750 -8.5458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8750 -7.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1375 -7.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6125 -8.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -8.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -7.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6125 -7.2708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8750 -6.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7125 -9.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 -9.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0833 -7.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6125 -6.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -5.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -10.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6875 -11.0417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4208 -11.4667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1583 -11.0417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1583 -10.1875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4208 -9.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -9.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4208 -12.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -9.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2083 -10.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -11.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -11.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0833 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6125 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6125 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0833 -3.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8167 -5.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -6.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -9.3958 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 5 11 1 6 0 0 0 3 12 1 6 0 0 0 3 13 1 1 0 0 0 9 14 2 0 0 0 0 10 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 18 1 0 0 0 0 24 12 1 0 0 0 0 22 24 1 1 0 0 0 20 25 1 1 0 0 0 18 26 1 1 0 0 0 26 27 1 0 0 0 0 19 28 1 6 0 0 0 21 29 1 6 0 0 0 17 30 1 0 0 0 0 17 31 2 0 0 0 0 31 32 1 0 0 0 0 30 33 1 0 0 0 0 32 33 1 0 0 0 0 30 34 2 0 0 0 0 10 35 1 1 0 0 0 4 36 1 1 0 0 0 M END > CFN97766 > Neoandrographolide > 27215-14-1 > 98% > C26H40O8 > 480.60 > Powder > Diterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Neoandrographolide-CFN97766.html $$$$ -ISIS- 10201511232D 37 40 0 0 0 0 0 0 0 0999 V2000 6.4000 -7.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 -8.5458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1375 -8.9708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8750 -8.5458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8750 -7.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1375 -7.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6125 -8.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -8.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -7.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6125 -7.2708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8750 -6.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7125 -9.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 -9.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0833 -7.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6125 -6.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -5.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -10.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6875 -11.0417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4208 -11.4667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1583 -11.0417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1583 -10.1875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4208 -9.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -9.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4208 -12.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -9.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2083 -10.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -11.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -11.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0833 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6125 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6125 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0833 -3.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8167 -5.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -6.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -9.3958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -8.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 5 11 1 6 0 0 0 3 12 1 6 0 0 0 3 13 1 1 0 0 0 9 14 2 0 0 0 0 10 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 18 1 0 0 0 0 24 12 1 0 0 0 0 22 24 1 1 0 0 0 20 25 1 1 0 0 0 18 26 1 1 0 0 0 26 27 1 0 0 0 0 19 28 1 6 0 0 0 21 29 1 6 0 0 0 17 30 1 0 0 0 0 17 31 2 0 0 0 0 31 32 1 0 0 0 0 30 33 1 0 0 0 0 32 33 1 0 0 0 0 30 34 2 0 0 0 0 10 35 1 1 0 0 0 4 36 1 1 0 0 0 2 37 1 6 0 0 0 M END > CFN97671 > Andropanoside > 82209-72-1 > 98% > C26H40O9 > 496.60 > Powder > Diterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Andropanoside-CFN97671.html $$$$ -ISIS- 10201511232D 37 40 0 0 0 0 0 0 0 0999 V2000 6.4000 -7.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 -8.5458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1375 -8.9708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8750 -8.5458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8750 -7.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1375 -7.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6125 -8.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -8.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -7.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6125 -7.2708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8750 -6.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7125 -9.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 -9.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0833 -7.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6125 -6.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -5.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -10.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6875 -11.0417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4208 -11.4667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1583 -11.0417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1583 -10.1875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4208 -9.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -9.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4208 -12.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -9.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2083 -10.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -11.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -11.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0833 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6125 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6125 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0833 -3.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8167 -5.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -6.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -9.3958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -8.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 5 11 1 6 0 0 0 3 12 1 6 0 0 0 3 13 1 1 0 0 0 9 14 2 0 0 0 0 10 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 18 1 0 0 0 0 24 12 1 0 0 0 0 22 24 1 1 0 0 0 20 25 1 1 0 0 0 18 26 1 1 0 0 0 26 27 1 0 0 0 0 19 28 1 6 0 0 0 21 29 1 6 0 0 0 17 30 1 0 0 0 0 17 31 2 0 0 0 0 31 32 1 0 0 0 0 30 33 1 0 0 0 0 32 33 1 0 0 0 0 30 34 2 0 0 0 0 10 35 1 1 0 0 0 4 36 1 1 0 0 0 2 37 1 6 0 0 0 M END > CFN97822 > 14-Deoxy-11,12-didehydroandrographiside > 141973-41-3 > 98% > C26H38O9 > 494.58 > Powder > Diterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/14-Deoxy-11-12-didehydroandrographiside-CFN97822.html $$$$ -ISIS- 10201511232D 38 41 0 0 0 0 0 0 0 0999 V2000 6.4000 -7.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 -8.5458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1375 -8.9708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8750 -8.5458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8750 -7.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1375 -7.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6125 -8.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -8.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -7.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6125 -7.2708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8750 -6.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7125 -9.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 -9.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0833 -7.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6125 -6.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -5.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -10.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6875 -11.0417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4208 -11.4667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1583 -11.0417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1583 -10.1875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4208 -9.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -9.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4208 -12.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -9.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2083 -10.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -11.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -11.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0833 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6125 -4.7167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6125 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0833 -3.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8167 -5.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -6.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -9.3958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8833 -5.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -8.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 5 11 1 6 0 0 0 3 12 1 6 0 0 0 3 13 1 1 0 0 0 9 14 2 0 0 0 0 10 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 18 1 0 0 0 0 24 12 1 0 0 0 0 22 24 1 1 0 0 0 20 25 1 1 0 0 0 18 26 1 1 0 0 0 26 27 1 0 0 0 0 19 28 1 6 0 0 0 21 29 1 6 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 31 32 1 0 0 0 0 30 33 1 0 0 0 0 32 33 1 0 0 0 0 30 34 2 0 0 0 0 10 35 1 1 0 0 0 4 36 1 1 0 0 0 31 37 1 6 0 0 0 2 38 1 6 0 0 0 M END > CFN97670 > Andrographiside > 82209-76-5 > 98% > C26H40O10 > 512.60 > Powder > Diterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Andrographiside-CFN97670.html $$$$ -ISIS- 10201511232D 52 57 0 0 0 0 0 0 0 0999 V2000 2.3375 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -6.6000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1042 -7.0417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8667 -6.6000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8667 -5.7167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1042 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4083 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4083 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -5.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6375 -4.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4083 -3.9417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4083 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 -1.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 -3.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -7.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5708 -7.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6583 -7.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5458 -7.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4333 -7.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4083 -4.8292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -8.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -9.7292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5542 -10.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3208 -9.7292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3208 -8.8417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5542 -8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0833 -10.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -9.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -8.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0833 -8.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0833 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6250 -5.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6250 -4.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0833 -4.8542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0833 -5.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3875 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3208 -7.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3208 -10.6167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -10.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -10.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -10.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -10.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6250 -8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -7.9542 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 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 17 13 2 0 0 0 0 16 15 1 0 0 0 0 14 18 2 0 0 0 0 5 19 1 6 0 0 0 4 20 1 1 0 0 0 2 21 1 6 0 0 0 3 22 1 1 0 0 0 3 23 1 6 0 0 0 23 24 1 0 0 0 0 9 25 2 0 0 0 0 10 26 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 27 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 42 43 1 0 0 0 0 43 39 2 0 0 0 0 42 41 1 0 0 0 0 40 44 2 0 0 0 0 31 45 1 6 0 0 0 30 46 1 1 0 0 0 28 47 1 6 0 0 0 29 48 1 1 0 0 0 29 49 1 6 0 0 0 49 50 1 0 0 0 0 35 51 2 0 0 0 0 36 52 1 1 0 0 0 12 42 1 4 0 0 0 M END > CFN97813 > Bisandrographolide C > 160498-02-2 > 98% > C40H56O8 > 664.88 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Bisandrographolide-C-CFN97813.html $$$$ -ISIS- 10201511232D 52 57 0 0 0 0 0 0 0 0999 V2000 2.3375 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -6.6000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1042 -7.0417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8667 -6.6000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8667 -5.7167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1042 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4083 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4083 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -5.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6375 -4.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4083 -3.9417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4083 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 -1.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 -3.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -7.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5708 -7.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6583 -7.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5458 -7.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4333 -7.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4083 -4.8292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -8.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -9.7292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5542 -10.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3208 -9.7292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3208 -8.8417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5542 -8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0833 -10.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -9.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -8.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0833 -8.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0833 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6250 -5.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6250 -4.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0833 -4.8542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0833 -5.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3875 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3208 -7.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3208 -10.6167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -10.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -10.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -10.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -10.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6250 -8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -7.9542 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 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 17 13 2 0 0 0 0 16 15 1 0 0 0 0 14 18 2 0 0 0 0 5 19 1 6 0 0 0 4 20 1 1 0 0 0 2 21 1 6 0 0 0 3 22 1 1 0 0 0 3 23 1 6 0 0 0 23 24 1 0 0 0 0 9 25 2 0 0 0 0 10 26 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 27 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 42 43 1 0 0 0 0 43 39 2 0 0 0 0 42 41 1 0 0 0 0 40 44 2 0 0 0 0 31 45 1 6 0 0 0 30 46 1 1 0 0 0 28 47 1 6 0 0 0 29 48 1 1 0 0 0 29 49 1 6 0 0 0 49 50 1 0 0 0 0 35 51 2 0 0 0 0 36 52 1 1 0 0 0 12 42 1 4 0 0 0 M END > CFN97814 > Bisandrographolide A > 160498-00-0 > 98% > C40H56O8 > 664.88 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Bisandrographolide-A-CFN97814.html $$$$ -ISIS- 10201511232D 27 29 0 0 0 0 0 0 0 0999 V2000 4.1333 -9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1333 -9.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -10.3792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7250 -9.9208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7250 -9.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9292 -8.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -10.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3208 -9.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3208 -9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -8.5417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5250 -7.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3208 -7.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3208 -6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -8.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -10.8417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4708 -11.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -11.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -8.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3208 -8.0792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -5.7792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1167 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -4.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -4.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9167 -4.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -6.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -11.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -11.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 5 14 1 1 0 0 0 4 15 1 6 0 0 0 3 16 1 1 0 0 0 3 17 1 6 0 0 0 9 18 2 0 0 0 0 11 10 1 0 0 0 0 10 19 1 6 0 0 0 13 20 1 0 0 0 0 13 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 20 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 M END > CFN97177 > 16-Hydroxy-8(17),13-labdadien-15,16-olid-19-oic acid > 691009-85-5 > 98% > C20H28O5 > 348.4 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/16-Hydroxy-8-17-13-labdadien-15-16-olid-19-oic-acid-CFN97177.html $$$$ -ISIS- 10201511232D 26 28 0 0 0 0 0 0 0 0999 V2000 4.4750 -8.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -9.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -10.3500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0583 -9.8917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0583 -8.9750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2667 -8.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -10.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6458 -9.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6458 -8.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -8.5167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8542 -7.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6458 -7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6458 -6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0583 -8.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0583 -10.8042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8083 -11.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -11.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4375 -8.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6458 -8.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -5.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4375 -5.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4375 -4.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -11.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -11.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2292 -6.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 5 14 1 1 0 0 0 4 15 1 6 0 0 0 3 16 1 1 0 0 0 3 17 1 6 0 0 0 9 18 2 0 0 0 0 11 10 1 0 0 0 0 10 19 1 6 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 23 1 0 0 0 0 16 24 1 0 0 0 0 16 25 2 0 0 0 0 21 26 2 0 0 0 0 M END > CFN98634 > Pinusolidic acid > 40433-82-7 > 98% > C20H28O4 > 332.4 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Pinusolidic-acid-CFN98634.html $$$$ -ISIS- 10201511232D 27 29 0 0 0 0 0 0 0 0999 V2000 4.4750 -8.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -9.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -10.3500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0583 -9.8917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0583 -8.9750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2667 -8.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -10.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6458 -9.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6458 -8.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -8.5167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8542 -7.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6458 -7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6458 -6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0583 -8.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0583 -10.8042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8083 -11.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -11.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4375 -8.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6458 -8.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -5.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4375 -5.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4375 -4.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -11.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -11.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2292 -6.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4333 -11.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 5 14 1 1 0 0 0 4 15 1 6 0 0 0 3 16 1 1 0 0 0 3 17 1 6 0 0 0 9 18 2 0 0 0 0 11 10 1 0 0 0 0 10 19 1 6 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 23 1 0 0 0 0 16 24 1 0 0 0 0 16 25 2 0 0 0 0 21 26 2 0 0 0 0 24 27 1 0 0 0 0 M END > CFN98404 > Pinusolide > 31685-80-0 > 98% > C21H30O4 > 346.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Pinusolide-CFN98404.html $$$$ -ISIS- 10201511232D 37 40 0 0 0 0 0 0 0 0999 V2000 6.7833 -7.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7833 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -9.0083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2667 -8.5792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2667 -7.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5208 -7.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0083 -9.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7500 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7500 -7.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0083 -7.2958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2667 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0958 -9.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 -9.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4875 -7.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0083 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7500 -6.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7500 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -10.2333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0500 -11.0875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7875 -11.5167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5292 -11.0875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5292 -10.2333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7875 -9.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -9.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -10.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -12.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -9.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -10.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -11.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 -11.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2667 -9.4375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7500 -6.8667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0083 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4875 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0083 -3.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4875 -3.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2292 -5.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 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 3 12 1 6 0 0 0 3 13 1 1 0 0 0 9 14 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 18 1 0 0 0 0 24 12 1 0 0 0 0 12 25 2 0 0 0 0 22 24 1 1 0 0 0 20 26 1 1 0 0 0 18 27 1 1 0 0 0 27 28 1 0 0 0 0 19 29 1 6 0 0 0 21 30 1 6 0 0 0 4 31 1 1 0 0 0 10 32 1 1 0 0 0 15 10 1 0 0 0 0 17 33 2 0 0 0 0 17 34 1 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 35 36 1 0 0 0 0 34 37 2 0 0 0 0 M END > CFN97481 > 19-[(beta-D-glucopyranosyl)oxy]-19-oxo-ent-labda-8(17),13-dien-16,15-olide > 919120-78-8 > 98% > C26H38O9 > 494.6 > Powder > Diterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/19-beta-D-glucopyranosyl-oxy-19-oxo-ent-labda-8-17-13-dien-16-15-olide--CFN97481.html $$$$ -ISIS- 10201511232D 28 30 0 0 0 0 0 0 0 0999 V2000 4.4750 -8.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -9.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -10.3500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0583 -9.8917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0583 -8.9750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2667 -8.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -10.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6458 -9.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6458 -8.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -8.5167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8542 -7.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6458 -7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6458 -6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0583 -8.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0583 -10.8042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8083 -11.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -11.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4375 -8.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6458 -8.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -5.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4375 -5.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -4.8542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4375 -4.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -11.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -11.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2292 -6.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0583 -4.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 5 14 1 1 0 0 0 4 15 1 6 0 0 0 3 16 1 1 0 0 0 3 17 1 6 0 0 0 9 18 2 0 0 0 0 11 10 1 0 0 0 0 10 19 1 6 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 23 1 0 0 0 0 16 24 1 0 0 0 0 16 25 2 0 0 0 0 21 26 2 0 0 0 0 22 27 1 0 0 0 0 27 28 1 0 0 0 0 M END > CFN97253 > 15-Methoxypinusolidic acid > 769928-72-5 > 98% > C21H30O5 > 362.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/15-Methoxypinusolidic-acid-CFN97253.html $$$$ -ISIS- 10201511232D 24 26 0 0 0 0 0 0 0 0999 V2000 3.7333 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7333 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -8.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3208 -7.6667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3208 -6.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5250 -6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -8.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9083 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9083 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -6.2917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1167 -5.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9083 -4.9167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9083 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4500 -2.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3208 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3208 -8.5833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -8.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9833 -8.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 -6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9083 -5.8333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 -5.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 13 2 0 0 0 0 5 18 1 1 0 0 0 4 19 1 6 0 0 0 3 20 1 1 0 0 0 3 21 1 6 0 0 0 9 22 2 0 0 0 0 11 10 1 0 0 0 0 10 23 1 6 0 0 0 12 24 1 6 0 0 0 M END > CFN97053 > 15,16-Epoxy-12R-hydroxylabda-8(17),13(16),14-triene > 61597-55-5 > 98% > C20H30O2 > 302.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/15-16-Epoxy-12R-hydroxylabda-8-17-13-16-14-triene-CFN97053.html $$$$ -ISIS- 10201511232D 24 26 0 0 0 0 0 0 0 0999 V2000 3.7333 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7333 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -8.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3208 -7.6667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3208 -6.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5250 -6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -8.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9083 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9083 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -6.2917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1167 -5.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9083 -4.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9083 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4500 -2.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3208 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3208 -8.5833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -8.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9833 -8.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 -6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9083 -5.8333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 -5.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 13 2 0 0 0 0 5 18 1 1 0 0 0 4 19 1 6 0 0 0 3 20 1 1 0 0 0 3 21 1 6 0 0 0 9 22 2 0 0 0 0 11 10 1 0 0 0 0 10 23 1 6 0 0 0 12 24 1 1 0 0 0 M END > CFN98075 > 15,16-Epoxy-12S-hydroxylabda-8(17),13(16),14-triene > 216011-55-1 > 98% > C20H30O2 > 302.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/15-16-Epoxy-12S-hydroxylabda-8-17-13-16-14-triene-CFN98075.html $$$$ -ISIS- 10201511232D 23 25 0 0 0 0 0 0 0 0999 V2000 3.7333 -6.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7333 -7.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -8.0542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3000 -7.6000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3000 -6.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5167 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -8.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8708 -7.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8708 -6.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -6.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0833 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8708 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8708 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6000 -3.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3208 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -2.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 -3.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -8.5042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 -8.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 -8.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8708 -5.7917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 13 2 0 0 0 0 5 18 1 1 0 0 0 4 19 1 6 0 0 0 3 20 1 1 0 0 0 3 21 1 6 0 0 0 9 22 2 0 0 0 0 11 10 1 0 0 0 0 10 23 1 6 0 0 0 M END > CFN99275 > Coronarin E > 117591-81-8 > 98% > C20H28O > 284.4 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Coronarin-E-CFN99275.html $$$$ -ISIS- 10201511232D 24 26 0 0 0 0 0 0 0 0999 V2000 3.7333 -6.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7333 -7.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -8.0542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3000 -7.6000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3000 -6.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5167 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -8.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8708 -7.6000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8708 -6.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -6.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0833 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8708 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8708 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6000 -3.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3208 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -2.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 -3.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -8.5042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 -8.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 -8.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8708 -5.7917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -8.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 13 2 0 0 0 0 5 18 1 1 0 0 0 4 19 1 6 0 0 0 3 20 1 1 0 0 0 3 21 1 6 0 0 0 9 22 2 0 0 0 0 11 10 1 0 0 0 0 10 23 1 6 0 0 0 8 24 1 1 0 0 0 M END > CFN99301 > Coronarin A > 119188-33-9 > 98% > C20H28O2 > 300.4 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Coronarin-A-CFN99301.html $$$$ -ISIS- 10201511232D 24 26 0 0 0 0 0 0 0 0999 V2000 3.9458 -6.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9458 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -7.9542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5167 -7.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5167 -6.5958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7292 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 -7.9542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0833 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0833 -6.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 -6.1417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3000 -5.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0833 -4.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0833 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -2.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -5.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -8.4042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -8.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1833 -8.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0833 -5.6917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 -8.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 13 2 0 0 0 0 5 18 1 1 0 0 0 4 19 1 6 0 0 0 3 20 1 1 0 0 0 3 21 1 6 0 0 0 9 22 2 0 0 0 0 11 10 1 0 0 0 0 10 23 1 6 0 0 0 7 24 1 1 0 0 0 M END > CFN99689 > Yunnancoronarin A > 162762-93-8 > 98% > C20H28O2 > 300.4 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Yunnancoronarin-A-CFN99689.html $$$$ -ISIS- 10201511232D 24 26 0 0 0 0 0 0 0 0999 V2000 3.9583 -6.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -7.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7458 -7.9667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5333 -7.5125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5333 -6.6042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7458 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -7.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -7.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -6.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -6.1500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3167 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -3.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8375 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 -2.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5333 -5.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5333 -8.4167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -5.6958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -8.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 13 2 0 0 0 0 5 18 1 1 0 0 0 4 19 1 6 0 0 0 3 20 1 1 0 0 0 3 21 1 6 0 0 0 9 22 1 0 0 0 0 11 10 1 0 0 0 0 10 23 1 6 0 0 0 7 24 2 0 0 0 0 M END > CFN98942 > Hedychenone > 56324-54-0 > 98% > C20H26O2 > 298.4 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Hedychenone-CFN98942.html $$$$ -ISIS- 10201511232D 24 26 0 0 0 0 0 0 0 0999 V2000 3.4333 -7.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4333 -8.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -8.7042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0000 -8.2542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0000 -7.3458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2167 -6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 -8.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -8.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -7.3458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7875 -6.8917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3583 -6.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3583 -5.9875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5750 -5.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -6.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -9.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -9.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -9.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -9.1583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -7.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -6.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 -5.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9292 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3583 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 5 15 1 1 0 0 0 3 16 1 1 0 0 0 3 17 1 6 0 0 0 17 18 1 0 0 0 0 4 19 1 6 0 0 0 10 20 1 6 0 0 0 9 21 1 1 0 0 0 22 23 2 0 0 0 0 12 24 1 6 0 0 0 12 22 1 1 0 0 0 M END > CFN97829 > 13-Epijhanol > 133005-15-9 > 98% > C20H34O2 > 306.49 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/13-Epijhanol-CFN97829.html $$$$ -ISIS- 10201511232D 30 32 0 0 0 0 0 0 0 0999 V2000 3.4375 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -7.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -8.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 -7.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 -6.9250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2167 -6.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7708 -8.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5500 -7.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5500 -6.9250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7708 -6.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3292 -5.5750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5500 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -5.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -9.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -9.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -6.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1083 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8833 -5.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -5.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -7.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -9.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -8.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9958 -5.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 -7.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 -6.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8792 -8.2750 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 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 10 1 0 0 0 0 3 14 1 1 0 0 0 3 15 1 6 0 0 0 4 16 1 6 0 0 0 5 17 1 1 0 0 0 10 5 1 0 0 0 0 11 18 1 0 0 0 0 9 18 1 0 0 0 0 11 19 1 0 0 0 0 19 20 2 0 0 0 0 11 21 1 1 0 0 0 9 22 1 1 0 0 0 6 23 1 6 0 0 0 10 24 1 6 0 0 0 7 25 1 1 0 0 0 8 26 1 1 0 0 0 13 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 M END > CFN90186 > Forskolin > 66575-29-9 > 98% > C22H34O7 > 410.50 > White powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Forskolin-CFN90186.html $$$$ -ISIS- 10201511232D 30 32 0 0 0 0 0 0 0 0999 V2000 3.4375 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -7.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -8.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 -7.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 -6.9250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2167 -6.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7708 -8.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5500 -7.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5500 -6.9250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7708 -6.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3292 -5.5750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5500 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -5.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -9.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -9.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -6.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1083 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8833 -5.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -5.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -7.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -9.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -8.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9958 -5.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -9.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -10.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 -9.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 10 1 0 0 0 0 3 14 1 1 0 0 0 3 15 1 6 0 0 0 4 16 1 6 0 0 0 5 17 1 1 0 0 0 10 5 1 0 0 0 0 11 18 1 0 0 0 0 9 18 1 0 0 0 0 11 19 1 0 0 0 0 19 20 2 0 0 0 0 11 21 1 1 0 0 0 9 22 1 1 0 0 0 6 23 1 6 0 0 0 10 24 1 6 0 0 0 7 25 1 1 0 0 0 8 26 1 1 0 0 0 13 27 2 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 M END > CFN97108 > Coleonol B > 64657-21-2 > 98% > C22H34O7 > 410.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Coleonol-B-CFN97108.html $$$$ -ISIS- 10201511232D 33 35 0 0 0 0 0 0 0 0999 V2000 3.4375 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -7.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -8.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 -7.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 -6.9250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2167 -6.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7708 -8.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5500 -7.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5500 -6.9250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7708 -6.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3292 -5.5750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5500 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -5.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -9.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -9.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -6.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1083 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8833 -5.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -5.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -7.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -9.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -8.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9958 -5.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -9.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -10.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 -9.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 -7.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 -6.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8792 -8.2750 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 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 10 1 0 0 0 0 3 14 1 1 0 0 0 3 15 1 6 0 0 0 4 16 1 6 0 0 0 5 17 1 1 0 0 0 10 5 1 0 0 0 0 11 18 1 0 0 0 0 9 18 1 0 0 0 0 11 19 1 0 0 0 0 19 20 2 0 0 0 0 11 21 1 1 0 0 0 9 22 1 1 0 0 0 6 23 1 6 0 0 0 10 24 1 6 0 0 0 7 25 1 1 0 0 0 8 26 1 1 0 0 0 13 27 2 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 26 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 M END > CFN98709 > Forskolin G > 473981-11-2 > 98% > C24H36O7 > 436.6 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Forskolin-G-CFN98709.html $$$$ -ISIS- 10201511232D 33 35 0 0 0 0 0 0 0 0999 V2000 3.4375 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -7.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -8.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 -7.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 -6.9250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2167 -6.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7708 -8.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5500 -7.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5500 -6.9250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7708 -6.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3292 -5.5750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5500 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -5.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -9.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -9.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -6.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1083 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8833 -5.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -5.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -7.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -9.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -8.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9958 -5.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -9.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -10.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 -9.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 -7.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 -6.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8792 -8.2750 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 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 10 1 0 0 0 0 3 14 1 1 0 0 0 3 15 1 6 0 0 0 4 16 1 6 0 0 0 5 17 1 1 0 0 0 10 5 1 0 0 0 0 11 18 1 0 0 0 0 9 18 1 0 0 0 0 11 19 1 0 0 0 0 19 20 2 0 0 0 0 11 21 1 1 0 0 0 9 22 1 1 0 0 0 6 23 1 6 0 0 0 10 24 1 6 0 0 0 7 25 1 1 0 0 0 8 26 1 1 0 0 0 13 27 2 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 26 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 M END > CFN97298 > Forskolin J > 81873-08-7 > 98% > C24H36O8 > 452.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Forskolin-J-CFN97298.html $$$$ -ISIS- 10201511232D 21 22 0 0 0 0 0 0 0 0999 V2000 4.4917 -10.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -11.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2833 -11.9208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0833 -11.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0833 -10.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2833 -10.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8833 -11.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -11.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -10.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8833 -10.0792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0833 -9.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -10.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7458 -12.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -12.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8833 -9.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -8.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -7.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -7.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -12.3792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -9.6167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8833 -7.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 5 11 1 1 0 0 0 9 12 2 0 0 0 0 3 13 1 6 0 0 0 3 14 1 1 0 0 0 10 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 4 19 1 6 0 0 0 10 20 1 6 0 0 0 17 21 2 0 0 0 0 M END > CFN97242 > 15,16-Dinor-8(17),11-labdadien-13-one > 76497-69-3 > 98% > C18H28O > 260.4 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/15-16-Dinor-8-17-11-labdadien-13-one-CFN97242.html $$$$ -ISIS- 10201511232D 23 24 0 0 0 0 0 0 0 0999 V2000 4.4917 -10.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -11.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2833 -11.9208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0833 -11.4583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0833 -10.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2833 -10.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8833 -11.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -11.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -10.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8833 -10.0792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0833 -9.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -10.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7458 -12.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -12.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2833 -13.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -12.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8833 -9.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -8.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -7.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -7.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -12.3792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -9.6167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8833 -7.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 5 11 1 6 0 0 0 9 12 2 0 0 0 0 3 13 1 6 0 0 0 3 14 1 1 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 10 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 4 21 1 1 0 0 0 10 22 1 1 0 0 0 19 23 2 0 0 0 0 M END > CFN97440 > ent-14,15-Dinor-13-oxolabda-8(17),11-dien-18-oic acid > 875585-30-1 > 98% > C18H26O3 > 290.4 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/ent-14-15-Dinor-13-oxolabda-8-17-11-dien-18-oic-acid-CFN97440.html $$$$ -ISIS- 10201511232D 21 22 0 0 0 0 0 0 0 0999 V2000 3.2417 -7.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -8.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0333 -8.7708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8333 -8.3083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8333 -7.3875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0333 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6333 -8.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -8.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -7.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6333 -6.9292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8333 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4958 -9.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -9.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6333 -6.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -5.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -4.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -4.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -9.2292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -6.4667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6333 -4.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 5 11 1 1 0 0 0 9 12 2 0 0 0 0 3 13 1 6 0 0 0 3 14 1 1 0 0 0 10 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 4 19 1 6 0 0 0 10 20 1 6 0 0 0 17 21 2 0 0 0 0 M END > CFN92778 > Coronadiene > 1145689-64-0 > 98% > C17H26O2 > 262.4 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Coronadiene-CFN92778.html $$$$ -ISIS- 10201511232D 25 26 0 0 0 0 0 0 0 0999 V2000 4.4917 -10.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -11.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2833 -11.9208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0833 -11.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0833 -10.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2833 -10.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8833 -11.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -11.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -10.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8833 -10.0792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0833 -9.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -10.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7458 -12.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -12.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2833 -13.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -12.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8833 -9.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -8.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -7.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -7.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -12.3792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2750 -7.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -9.6167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8833 -7.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -6.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 5 11 1 1 0 0 0 9 12 2 0 0 0 0 3 13 1 1 0 0 0 3 14 1 6 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 10 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 4 21 1 6 0 0 0 20 22 1 0 0 0 0 10 23 1 6 0 0 0 19 24 1 0 0 0 0 20 25 2 0 0 0 0 M END > CFN99058 > 15-Nor-14-oxolabda-8(17),12-dien-18-oic acid > 1039673-32-9 > 98% > C19H28O3 > 304.4 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/15-Nor-14-oxolabda-8-17-12-dien-18-oic-acid-CFN99058.html $$$$ -ISIS- 10201511232D 26 27 0 0 0 0 0 0 0 0999 V2000 3.2958 -8.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2958 -8.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 -9.4042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8625 -8.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8625 -8.0458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0750 -7.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6458 -9.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -8.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -8.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6458 -7.5917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8625 -7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6208 -10.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -10.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8625 -9.8583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6458 -6.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -6.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6458 -4.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -7.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 -4.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 -3.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -3.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -3.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 -7.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6458 -3.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -5.3208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 5 11 1 1 0 0 0 3 12 1 1 0 0 0 3 13 1 6 0 0 0 4 14 1 6 0 0 0 16 15 1 0 0 0 0 17 16 2 0 0 0 0 17 18 1 0 0 0 0 10 19 1 6 0 0 0 10 15 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 9 24 2 0 0 0 0 18 25 2 0 0 0 0 18 26 1 0 0 0 0 M END > CFN92779 > Zerumin A > 176050-48-9 > 98% > C20H30O3 > 318.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Zerumin-A-CFN92779.html $$$$ -ISIS- 10201511232D 25 26 0 0 0 0 0 0 0 0999 V2000 3.4750 -9.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 -9.9875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2542 -10.4417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0417 -9.9875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0417 -9.0833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2542 -8.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -10.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -9.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -9.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -8.6292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0417 -8.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -11.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7083 -11.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -10.8958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -7.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -7.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -5.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -8.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 -5.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 -5.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -4.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -4.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 -8.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -10.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 5 11 1 1 0 0 0 3 12 1 1 0 0 0 3 13 1 6 0 0 0 4 14 1 6 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 17 18 1 0 0 0 0 10 19 1 6 0 0 0 10 15 1 0 0 0 0 17 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 9 24 2 0 0 0 0 2 25 1 1 0 0 0 M END > CFN97091 > Alepterolic acid > 63399-38-2 > 98% > C20H32O3 > 320.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Alepterolic-acid-CFN97091.html $$$$ -ISIS- 10201511232D 28 29 0 0 0 0 0 0 0 0999 V2000 3.4750 -9.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 -9.9875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2542 -10.4417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0417 -9.9875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0417 -9.0833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2542 -8.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -10.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -9.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -9.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -8.6292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0417 -8.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -11.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7083 -11.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -10.8958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -7.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -7.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -5.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -8.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 -5.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 -5.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -4.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -4.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 -8.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -10.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9083 -9.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9208 -9.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1208 -10.4333 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 3 12 1 1 0 0 0 3 13 1 6 0 0 0 4 14 1 6 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 17 18 1 0 0 0 0 10 19 1 6 0 0 0 10 15 1 0 0 0 0 17 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 9 24 2 0 0 0 0 2 25 1 1 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M END > CFN97090 > 3-Acetoxy-8(17),13E-labdadien-15-oic acid > 63399-37-1 > 98% > C22H34O4 > 362.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/3-Acetoxy-8-17-13E-labdadien-15-oic-acid-CFN97090.html $$$$ -ISIS- 10201511232D 24 25 0 0 0 0 0 0 0 0999 V2000 3.4750 -9.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 -9.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -10.4417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0417 -9.9875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0417 -9.0833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2542 -8.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -10.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -9.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -9.0833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8250 -8.6292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0417 -8.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -11.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7083 -11.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -10.8958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -7.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -7.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -5.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -8.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 -5.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 -5.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -4.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -4.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 -8.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 5 11 1 1 0 0 0 3 12 1 1 0 0 0 3 13 1 6 0 0 0 4 14 1 6 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 17 18 1 0 0 0 0 10 19 1 6 0 0 0 10 15 1 0 0 0 0 17 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 9 24 1 6 0 0 0 M END > CFN99412 > 9-Hydroxy-13E-labden-15-oic acid > 132915-47-0 > 98% > C20H34O3 > 322.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/9-Hydroxy-13E-labden-15-oic-acid-CFN99412.html $$$$ -ISIS- 10201511232D 27 29 0 0 0 0 0 0 0 0999 V2000 3.4292 -9.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -10.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -10.4958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0083 -10.0417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0083 -9.1292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2208 -8.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7958 -10.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 -10.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 -9.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7958 -8.6750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0083 -8.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0083 -10.9500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -11.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -11.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3750 -8.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7958 -7.7625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6792 -8.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4083 -7.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4083 -6.5458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6792 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7958 -6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3708 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2917 -6.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3417 -5.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7958 -4.5458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4333 -5.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7958 -9.5833 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 5 11 1 1 0 0 0 4 12 1 6 0 0 0 3 13 1 1 0 0 0 3 14 1 6 0 0 0 9 15 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 16 1 0 0 0 0 19 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 10 16 1 0 0 0 0 10 27 1 6 0 0 0 M END > CFN99303 > Coronarin B > 119188-38-4 > 98% > C20H30O4 > 334.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Coronarin-B-CFN99303.html $$$$ -ISIS- 10201511232D 24 25 0 0 0 0 0 0 0 0999 V2000 4.3208 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3208 -8.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -8.6167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9208 -8.1542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9208 -7.2292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1167 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -8.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -8.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -7.2292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7208 -6.7667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9208 -6.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -9.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -9.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -5.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -5.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -4.4583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3250 -3.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9208 -9.0792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1208 -4.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -6.3083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5958 -4.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 -6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4458 -7.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 5 11 1 1 0 0 0 3 12 1 6 0 0 0 3 13 1 1 0 0 0 10 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 4 18 1 6 0 0 0 17 19 2 0 0 0 0 10 20 1 6 0 0 0 16 21 1 1 0 0 0 16 22 1 6 0 0 0 9 23 1 1 0 0 0 9 24 1 6 0 0 0 M END > CFN90249 > Sclareol > 515-03-7 > 98% > C20H36O2 > 308.50 > Cryst. > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Sclareol-CFN90249.html $$$$ -ISIS- 10201511232D 23 24 0 0 0 0 0 0 0 0999 V2000 3.7042 -8.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -9.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -9.8958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2667 -9.4458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2667 -8.5458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4875 -8.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -9.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 -9.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 -8.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -8.0958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2667 -7.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 -10.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -10.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -10.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 -8.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -7.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -7.6417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -6.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -5.8417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6167 -5.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -5.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 5 11 1 1 0 0 0 3 12 1 1 0 0 0 3 13 1 6 0 0 0 4 14 1 6 0 0 0 9 15 2 0 0 0 0 10 16 1 0 0 0 0 10 17 1 6 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 19 22 1 1 0 0 0 19 23 1 6 0 0 0 M END > CFN97997 > 13-Epimanool > 1438-62-6 > 98% > C20H34O > 290.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/13-Epimanool-CFN97997.html $$$$ -ISIS- 10201511232D 25 26 0 0 0 0 0 0 0 0999 V2000 3.6875 -7.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -8.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -8.4958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2542 -8.0417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2542 -7.1333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4750 -6.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 -8.4958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8292 -8.0417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8292 -7.1333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0417 -6.6792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0208 -9.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9208 -9.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -8.9458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -4.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 -3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -4.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -6.2292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 -7.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2833 -6.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6125 -8.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 -9.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 3 11 1 1 0 0 0 3 12 1 6 0 0 0 5 13 1 1 0 0 0 4 14 1 6 0 0 0 10 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 10 21 1 6 0 0 0 9 22 1 6 0 0 0 9 23 1 1 0 0 0 8 24 1 1 0 0 0 7 25 1 6 0 0 0 M END > CFN97701 > 6alpha-Hydroxynidorellol > 70387-38-1 > 98% > C20H34O3 > 322.49 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/6-Hydroxynidorellol-CFN97701.html $$$$ -ISIS- 10201511232D 23 24 0 0 0 0 0 0 0 0999 V2000 4.3208 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3208 -8.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -8.6167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9208 -8.1542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9208 -7.2292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1167 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -8.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -8.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -6.7667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9208 -6.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3250 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -9.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -9.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -9.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -5.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -5.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -4.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3250 -3.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9208 -9.0792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1208 -4.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -6.3083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -3.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 5 11 1 1 0 0 0 9 12 2 0 0 0 0 3 13 1 6 0 0 0 3 14 1 1 0 0 0 14 15 1 0 0 0 0 10 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 4 20 1 6 0 0 0 19 21 2 0 0 0 0 10 22 1 6 0 0 0 18 23 1 0 0 0 0 M END > CFN99033 > Elliotinol > 10178-31-1 > 98% > C20H32O > 288.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Elliotinol-CFN99033.html $$$$ -ISIS- 10201511232D 35 37 0 0 0 0 0 0 0 0999 V2000 7.6917 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -7.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4458 -7.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2000 -7.2625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2000 -6.3917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4458 -5.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9542 -7.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7042 -7.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7042 -6.3917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9542 -5.9583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0083 -8.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8792 -8.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -8.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -9.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -9.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -9.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -9.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -9.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0958 -9.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -9.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -9.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -10.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0958 -10.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -9.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2000 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2000 -8.1333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9542 -5.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7042 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7042 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4583 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9542 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7042 -5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5708 -6.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2000 -3.7833 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 3 11 1 1 0 0 0 3 12 1 6 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 18 1 0 0 0 0 21 24 1 0 0 0 0 5 25 1 1 0 0 0 4 26 1 6 0 0 0 10 27 1 0 0 0 0 27 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 10 32 1 6 0 0 0 9 33 1 6 0 0 0 9 34 1 1 0 0 0 31 35 2 0 0 0 0 M END > CFN97847 > 8alpha-Hydroxylabda-13(16),14-dien-19-yl p-hydroxycinnamate > 117254-98-5 > 98% > C29H40O4 > 452.63 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/8-Hydroxylabda-13-16-14-dien-19-yl-p-hydroxycinnamate-CFN97847.html $$$$ -ISIS- 10201511232D 25 26 0 0 0 0 0 0 0 0999 V2000 4.3208 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3208 -8.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -8.6167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9208 -8.1542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9208 -7.2292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1167 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -8.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -8.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -6.7667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9208 -6.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3250 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -9.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -9.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -10.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -9.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -5.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -5.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -4.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3250 -3.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9208 -9.0792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1208 -4.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -6.3083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5958 -4.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 5 11 1 1 0 0 0 9 12 2 0 0 0 0 3 13 1 1 0 0 0 3 14 1 6 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 10 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 4 21 1 6 0 0 0 20 22 2 0 0 0 0 10 23 1 6 0 0 0 19 24 1 6 0 0 0 19 25 1 1 0 0 0 M END > CFN97332 > 13-Hydroxylabda-8(17),14-dien-18-oic acid > 83915-59-7 > 98% > C20H32O3 > 320.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/13-Hydroxylabda-8-17-14-dien-18-oic-acid-CFN97332.html $$$$ -ISIS- 10201511232D 24 25 0 0 0 0 0 0 0 0999 V2000 4.3208 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3208 -8.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -8.6167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9208 -8.1542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9208 -7.2292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1167 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -8.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -8.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -6.7667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9208 -6.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3250 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -9.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -9.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -10.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -9.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -5.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -5.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -4.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3250 -3.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9208 -9.0792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1208 -4.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -6.3083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -3.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 5 11 1 1 0 0 0 9 12 2 0 0 0 0 3 13 1 1 0 0 0 3 14 1 6 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 10 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 4 21 1 6 0 0 0 20 22 2 0 0 0 0 10 23 1 6 0 0 0 19 24 1 0 0 0 0 M END > CFN97334 > 4-Epicommunic acid > 83945-57-7 > 98% > C20H30O2 > 302.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/4-Epicommunic-acid-CFN97334.html $$$$ -ISIS- 10201511232D 24 25 0 0 0 0 0 0 0 0999 V2000 4.3208 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3208 -8.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -8.6167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9208 -8.1542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9208 -7.2292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1167 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -8.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -8.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -6.7667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9208 -6.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3250 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -9.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -9.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -10.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -9.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -5.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -5.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -4.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3250 -3.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9208 -9.0792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1208 -4.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -6.3083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -3.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 5 11 1 1 0 0 0 9 12 2 0 0 0 0 3 13 1 6 0 0 0 3 14 1 1 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 10 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 4 21 1 6 0 0 0 20 22 2 0 0 0 0 10 23 1 6 0 0 0 19 24 1 0 0 0 0 M END > CFN98332 > Communic acid > 2761-77-5 > 98% > C20H30O2 > 302.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Communic-acid-CFN98332.html $$$$ -ISIS- 10201511232D 24 25 0 0 0 0 0 0 0 0999 V2000 4.4792 -11.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -12.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -12.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0792 -12.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0792 -11.1792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2792 -10.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -12.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -12.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -11.1792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8792 -10.7167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0792 -10.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -13.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -13.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -13.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -9.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -9.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -8.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -7.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -7.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -10.2583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 -6.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3292 -10.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5708 -11.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 5 11 1 1 0 0 0 3 12 1 1 0 0 0 3 13 1 6 0 0 0 4 14 1 6 0 0 0 15 10 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 2 0 0 0 0 17 19 1 0 0 0 0 10 20 1 6 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 9 23 1 1 0 0 0 9 24 1 6 0 0 0 M END > CFN99042 > Labd-13-ene-8,15-diol > 10267-31-9 > 98% > C20H36O2 > 308.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Labd-13-ene-8-15-diol-CFN99042.html $$$$ -ISIS- 10201511232D 33 35 0 0 0 0 0 0 0 0999 V2000 4.4792 -11.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -12.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -12.5667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0792 -12.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0792 -11.1792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2792 -10.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -12.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6792 -12.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -11.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -10.7167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0792 -10.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -13.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -13.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -13.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -10.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -9.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -9.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -8.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -7.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -7.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -10.2583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 -6.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -13.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -13.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -13.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4750 -13.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -14.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2750 -13.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0750 -13.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0750 -12.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2750 -12.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4750 -12.5667 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 5 11 1 1 0 0 0 3 12 1 6 0 0 0 3 13 1 1 0 0 0 4 14 1 6 0 0 0 9 15 2 0 0 0 0 16 10 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 2 0 0 0 0 18 20 1 0 0 0 0 10 21 1 6 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 12 24 1 0 0 0 0 7 25 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 27 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 27 1 0 0 0 0 M END > CFN99397 > Scoparinol > 130838-00-5 > 98% > C27H38O4 > 426.6 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Scoparinol-CFN99397.html $$$$ -ISIS- 10201511232D 30 31 0 0 0 0 0 0 0 0999 V2000 4.4792 -11.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -12.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -12.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0792 -12.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0792 -11.1792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2792 -10.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -12.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -12.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -11.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -10.7167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0792 -10.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -13.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -13.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -13.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -10.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -9.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -9.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -8.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -7.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -7.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -10.2583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 -6.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -13.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0750 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8750 -6.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0750 -7.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4333 -14.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5083 -14.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -14.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 5 11 1 1 0 0 0 3 12 1 1 0 0 0 3 13 1 6 0 0 0 4 14 1 6 0 0 0 9 15 2 0 0 0 0 16 10 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 2 0 0 0 0 18 20 1 0 0 0 0 10 21 1 6 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 12 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 24 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 M END > CFN98250 > Agathadiol diacetate > 24022-13-7 > 98% > C24H38O4 > 390.6 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Agathadiol-diacetate-CFN98250.html $$$$ -ISIS- 10201511232D 25 26 0 0 0 0 0 0 0 0999 V2000 4.4792 -11.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -12.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -12.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0792 -12.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0792 -11.1792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2792 -10.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -12.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -12.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -11.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -10.7167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0792 -10.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -13.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -13.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -13.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -10.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -9.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -9.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -8.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -7.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -7.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -10.2583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 -6.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -14.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -13.3667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 5 11 1 1 0 0 0 3 12 1 1 0 0 0 3 13 1 6 0 0 0 4 14 1 6 0 0 0 9 15 2 0 0 0 0 16 10 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 2 0 0 0 0 18 20 1 0 0 0 0 10 21 1 6 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 12 24 2 0 0 0 0 12 25 1 0 0 0 0 M END > CFN98497 > Agatholal > 3650-31-5 > 98% > C20H32O2 > 304.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Agatholal-CFN98497.html $$$$ -ISIS- 10201511232D 25 26 0 0 0 0 0 0 0 0999 V2000 4.4792 -11.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -12.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -12.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0792 -12.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0792 -11.1792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2792 -10.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -12.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -12.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -11.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -10.7167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0792 -10.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -13.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -13.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -13.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -10.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -9.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -9.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -8.4083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4792 -7.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -7.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -10.2583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 -6.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -14.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -13.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 5 11 1 1 0 0 0 3 12 1 1 0 0 0 3 13 1 6 0 0 0 4 14 1 6 0 0 0 9 15 2 0 0 0 0 16 10 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 18 20 1 1 0 0 0 10 21 1 6 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 12 24 2 0 0 0 0 12 25 1 0 0 0 0 M END > CFN97164 > Imbricatolic acid > 6832-60-6 > 98% > C20H34O3 > 322.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Imbricatolic-acid-CFN97164.html $$$$ -ISIS- 10201511232D 25 26 0 0 0 0 0 0 0 0999 V2000 4.4792 -11.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -12.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -12.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0792 -12.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0792 -11.1792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2792 -10.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -12.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -12.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -11.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -10.7167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0792 -10.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -13.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -13.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -13.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -10.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -9.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -9.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -8.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -7.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -7.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -10.2583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 -6.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -14.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -13.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 5 11 1 1 0 0 0 3 12 1 1 0 0 0 3 13 1 6 0 0 0 4 14 1 6 0 0 0 9 15 2 0 0 0 0 16 10 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 2 0 0 0 0 18 20 1 0 0 0 0 10 21 1 6 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 12 24 2 0 0 0 0 12 25 1 0 0 0 0 M END > CFN99882 > Isocupressic acid > 1909-91-7 > 98% > C20H32O3 > 320.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Isocupressic-acid-CFN99882.html $$$$ -ISIS- 10201511232D 28 29 0 0 0 0 0 0 0 0999 V2000 4.4792 -11.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -12.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -12.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0792 -12.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0792 -11.1792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2792 -10.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -12.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -12.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -11.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -10.7167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0792 -10.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -13.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -13.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -13.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -10.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -9.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -9.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -8.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -7.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -7.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -10.2583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 -6.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -14.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -13.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0750 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8750 -6.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0750 -7.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 5 11 1 1 0 0 0 3 12 1 1 0 0 0 3 13 1 6 0 0 0 4 14 1 6 0 0 0 9 15 2 0 0 0 0 16 10 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 2 0 0 0 0 18 20 1 0 0 0 0 10 21 1 6 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 12 24 2 0 0 0 0 12 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 M END > CFN98880 > Acetylisocupressic acid > 52992-82-2 > 98% > C22H34O4 > 362.5 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Acetylisocupressic-acid-CFN98880.html $$$$