-ISIS- 10201511232D 36 40 0 0 0 0 0 0 0 0999 V2000 3.4625 -14.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -15.4583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2667 -15.9250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0750 -15.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0750 -14.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2667 -14.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -15.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -15.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -14.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8792 -14.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4958 -14.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4958 -13.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -12.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -13.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 -14.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 -14.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 -13.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3000 -12.6667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -15.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -16.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -13.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -13.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -13.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -14.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -16.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -12.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -11.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 -11.2708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3000 -11.7333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1083 -10.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -11.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 -13.5958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -14.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -16.3917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7208 -13.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -14.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 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 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 6 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 6 0 0 0 29 31 1 1 0 0 0 18 32 1 1 0 0 0 10 33 1 6 0 0 0 4 34 1 6 0 0 0 23 35 1 0 0 0 0 23 36 2 0 0 0 0 M END > CFN92196 > 3-Epiursolic acid > 989-30-0 > 98% > C30H48O3 > 456.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/3-Epiursolic-acid-CFN92196.html $$$$ -ISIS- 10201511232D 36 40 0 0 0 0 0 0 0 0999 V2000 3.4625 -14.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -15.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2667 -15.9250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0750 -15.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0750 -14.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2667 -14.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -15.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -15.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -14.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8792 -14.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4958 -14.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4958 -13.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -12.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -13.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 -14.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 -14.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 -13.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3000 -12.6667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -15.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -16.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -13.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -13.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -13.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -14.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -16.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -12.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -11.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 -11.2708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3000 -11.7333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1083 -10.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -11.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 -13.5958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -14.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -16.3917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7208 -13.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -14.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 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 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 6 0 0 0 29 31 1 1 0 0 0 18 32 1 1 0 0 0 10 33 1 6 0 0 0 4 34 1 6 0 0 0 23 35 1 0 0 0 0 23 36 2 0 0 0 0 M END > CFN97259 > Ursolic acid > 77-52-1 > 98% > C30H48O3 > 456.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Ursolic-acid-CFN97259.html $$$$ -ISIS- 10201511232D 39 43 0 0 0 0 0 0 0 0999 V2000 3.4625 -14.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -15.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2667 -15.9250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0750 -15.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0750 -14.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2667 -14.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -15.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -15.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -14.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8792 -14.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4958 -14.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4958 -13.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -12.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -13.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 -14.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 -14.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 -13.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3000 -12.6667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -15.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -16.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -13.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -13.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -13.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -14.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -16.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -12.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -11.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 -11.2708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3000 -11.7333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1083 -10.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -11.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 -13.5958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -14.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -16.3917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7208 -13.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -14.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -15.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -14.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0458 -15.9250 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 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 6 0 0 0 29 31 1 1 0 0 0 18 32 1 1 0 0 0 10 33 1 6 0 0 0 4 34 1 6 0 0 0 23 35 1 0 0 0 0 23 36 2 0 0 0 0 19 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 M END > CFN97219 > Acetylursolic acid > 7372-30-7 > 98% > C32H50O4 > 498.8 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Acetylursolic-acid-CFN97219.html $$$$ -ISIS- 10201511232D 36 40 0 0 0 0 0 0 0 0999 V2000 3.4625 -14.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -15.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -15.9250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0750 -15.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0750 -14.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2667 -14.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -15.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -15.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -14.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8792 -14.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4958 -14.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4958 -13.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -12.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -13.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 -14.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 -14.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 -13.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3000 -12.6667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -15.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -16.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -13.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -13.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -13.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -14.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -16.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -12.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -11.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 -11.2708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3000 -11.7333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1083 -10.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -11.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 -13.5958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -14.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -16.3917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7208 -13.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -14.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 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 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 2 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 6 0 0 0 29 31 1 1 0 0 0 18 32 1 1 0 0 0 10 33 1 6 0 0 0 4 34 1 6 0 0 0 23 35 1 0 0 0 0 23 36 2 0 0 0 0 M END > CFN97078 > Ursonic acid > 6246-46-4 > 98% > C30H46O3 > 454.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Ursonic-acid-CFN97078.html $$$$ -ISIS- 10201511232D 37 41 0 0 0 0 0 0 0 0999 V2000 3.4625 -14.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -15.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2667 -15.9250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0750 -15.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0750 -14.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2667 -14.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -15.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -15.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -14.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8792 -14.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4958 -14.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4958 -13.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -12.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -13.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 -14.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 -14.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 -13.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3000 -12.6667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -15.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -16.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -13.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -13.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -13.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -14.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -16.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -12.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -11.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 -11.2708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3000 -11.7333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1083 -10.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -11.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 -13.5958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -14.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -16.3917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7208 -13.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -14.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -12.6667 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 6 0 0 0 29 31 1 1 0 0 0 18 32 1 1 0 0 0 10 33 1 6 0 0 0 4 34 1 6 0 0 0 23 35 1 0 0 0 0 23 36 2 0 0 0 0 14 37 2 0 0 0 0 M END > CFN90556 > Obtusilin > 105870-59-5 > 98% > C30H46O4 > 470.69 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Obtusilin-CFN90556.html $$$$ -ISIS- 10201511232D 37 41 0 0 0 0 0 0 0 0999 V2000 3.4625 -14.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -15.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2667 -15.9250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0750 -15.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0750 -14.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2667 -14.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -15.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -15.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -14.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8792 -14.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4958 -14.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4958 -13.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -12.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -13.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 -14.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 -14.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 -13.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3000 -12.6667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -15.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -16.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -13.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -13.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -13.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -14.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -16.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -12.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -11.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 -11.2708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3000 -11.7333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1083 -10.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -11.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 -13.5958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -14.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -16.3917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7208 -13.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -14.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 -9.8708 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 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 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 6 0 0 0 29 31 1 1 0 0 0 18 32 1 1 0 0 0 10 33 1 6 0 0 0 4 34 1 6 0 0 0 23 35 1 0 0 0 0 23 36 2 0 0 0 0 30 37 1 0 0 0 0 M END > CFN97281 > Rubifolic acid > 80489-65-2 > 98% > C30H48O4 > 472.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Rubifolic-acid-CFN97281.html $$$$ -ISIS- 10201511232D 48 53 0 0 0 0 0 0 0 0999 V2000 3.6583 -15.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6583 -16.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4333 -16.8500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2083 -16.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2083 -15.5042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4333 -15.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9833 -16.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -16.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -15.5042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9833 -15.0583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5333 -15.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5333 -14.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -13.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9833 -14.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3083 -15.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0833 -15.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0833 -14.1625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3083 -13.7167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8833 -16.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -17.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2083 -14.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -14.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8625 -14.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5333 -15.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8833 -17.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8625 -13.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8625 -12.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0833 -12.3708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3083 -12.8208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2083 -17.2958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9833 -15.9542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6375 -14.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8625 -15.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5333 -12.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0833 -11.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3083 -11.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3083 -10.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5333 -9.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5333 -8.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -8.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0833 -9.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -7.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9833 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2083 -7.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2083 -8.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9833 -8.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4333 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3083 -14.6125 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 4 30 1 6 0 0 0 10 31 1 6 0 0 0 32 23 1 0 0 0 0 23 33 2 0 0 0 0 29 34 1 1 0 0 0 28 35 1 6 0 0 0 36 35 1 0 0 0 0 37 36 1 0 0 0 0 38 37 1 0 0 0 0 39 38 2 0 0 0 0 40 39 1 0 0 0 0 37 41 2 0 0 0 0 40 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 40 1 0 0 0 0 44 47 1 0 0 0 0 18 48 1 1 0 0 0 M END > CFN98292 > Zamanic acid > 260393-05-3 > 98% > C39H54O6 > 618.9 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Zamanic-acid-CFN98292.html $$$$ -ISIS- 10201511232D 33 38 0 0 0 0 0 0 0 0999 V2000 4.3750 -14.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -15.3333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1625 -15.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9458 -15.3333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9458 -14.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1625 -13.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7333 -15.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -15.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -14.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7333 -13.9708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3042 -13.9708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3042 -13.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5208 -12.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7333 -13.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -14.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8792 -13.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8792 -13.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0917 -12.6083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5875 -15.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7083 -16.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9458 -13.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -13.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6625 -13.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 -14.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -16.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6625 -12.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6625 -11.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8792 -11.2458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0917 -11.7000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8792 -10.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 -11.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -13.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5708 -13.5167 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 6 0 0 0 29 31 1 1 0 0 0 12 32 1 1 0 0 0 32 23 1 0 0 0 0 23 33 2 0 0 0 0 M END > CFN98486 > 3-Hydroxy-11-ursen-28,13-olide > 35959-05-8 > 98% > C30H46O3 > 454.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/3-Hydroxy-11-ursen-28-13-olide-CFN98486.html $$$$ -ISIS- 10201511232D 36 41 0 0 0 0 0 0 0 0999 V2000 4.3750 -14.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -15.3333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1625 -15.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9458 -15.3333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9458 -14.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1625 -13.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7333 -15.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -15.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -14.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7333 -13.9708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3042 -13.9708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3042 -13.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5208 -12.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7333 -13.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -14.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8792 -13.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8792 -13.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0917 -12.6083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5875 -15.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7083 -16.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9458 -13.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -13.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6625 -13.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 -14.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -16.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6625 -12.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6625 -11.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8792 -11.2458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0917 -11.7000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8792 -10.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 -11.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -15.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -15.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -14.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -13.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5708 -13.5167 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 6 0 0 0 29 31 1 1 0 0 0 19 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 12 35 1 1 0 0 0 35 23 1 0 0 0 0 23 36 2 0 0 0 0 M END > CFN98487 > 3-Acetoxy-11-ursen-28,13-olide > 35959-08-1 > 98% > C32H48O4 > 496.7 > Cryst. > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/3-Acetoxy-11-ursen-28-13-olide-CFN98487.html $$$$ -ISIS- 10201511232D 46 52 0 0 0 0 0 0 0 0999 V2000 7.1625 -7.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1625 -8.2583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9083 -8.6875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6542 -8.2583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6542 -7.3958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9083 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 -8.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1458 -8.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1458 -7.3958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4000 -6.9667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8875 -6.9667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8875 -6.1083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1458 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 -6.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6333 -7.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3792 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3792 -6.1083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6333 -5.6750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4167 -8.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -9.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1458 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1250 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8875 -7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3375 -9.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1250 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1250 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3792 -4.3875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6333 -4.8167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3792 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8875 -4.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6333 -6.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9833 -6.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -8.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -8.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1833 -8.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -7.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -8.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -8.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9458 -8.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9458 -9.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -9.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -9.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -9.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -8.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4583 -8.6875 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 2 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 6 0 0 0 29 31 1 1 0 0 0 12 32 1 1 0 0 0 32 23 1 0 0 0 0 23 33 2 0 0 0 0 34 19 1 0 0 0 0 35 34 1 0 0 0 0 36 35 2 0 0 0 0 34 37 2 0 0 0 0 38 36 1 0 0 0 0 39 38 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 38 1 0 0 0 0 41 44 1 0 0 0 0 40 45 1 0 0 0 0 45 46 1 0 0 0 0 M END > CFN99623 > Tereticornate A > 149751-81-5 > 98% > C40H54O6 > 630.9 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Tereticornate-A-CFN99623.html $$$$ -ISIS- 10201511232D 37 41 0 0 0 0 0 0 0 0999 V2000 3.4625 -14.5292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4625 -15.4583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2667 -15.9250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0750 -15.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0750 -14.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2667 -14.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -15.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -15.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -14.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8792 -14.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4958 -14.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4958 -13.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -12.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -13.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 -14.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 -14.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 -13.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3000 -12.6667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -15.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -16.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -13.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -13.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -13.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -14.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -16.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -12.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -11.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 -11.2708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3000 -11.7333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1083 -10.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -11.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -14.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 -13.5958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -14.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -16.3917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7208 -13.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -14.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 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 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 6 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 6 0 0 0 29 31 1 1 0 0 0 1 32 1 6 0 0 0 18 33 1 1 0 0 0 10 34 1 6 0 0 0 4 35 1 6 0 0 0 23 36 1 0 0 0 0 23 37 2 0 0 0 0 M END > CFN98851 > 3-Epicorosolic acid > 52213-27-1 > 98% > C30H48O4 > 472.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/3-Epicorosolic-acid-CFN98851.html $$$$ -ISIS- 10201511232D 37 41 0 0 0 0 0 0 0 0999 V2000 3.4625 -14.5292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4625 -15.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2667 -15.9250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0750 -15.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0750 -14.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2667 -14.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -15.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -15.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -14.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8792 -14.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4958 -14.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4958 -13.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -12.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -13.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 -14.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 -14.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 -13.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3000 -12.6667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -15.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -16.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -13.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -13.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -13.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -14.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -16.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -12.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -11.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 -11.2708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3000 -11.7333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1083 -10.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -11.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -14.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 -13.5958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -14.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -16.3917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7208 -13.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -14.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 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 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 6 0 0 0 29 31 1 1 0 0 0 1 32 1 6 0 0 0 18 33 1 1 0 0 0 10 34 1 6 0 0 0 4 35 1 6 0 0 0 23 36 1 0 0 0 0 23 37 2 0 0 0 0 M END > CFN98685 > Corosolic acid > 4547-24-4 > 98% > C30H48O4 > 472.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Corosolic-acid-CFN98685.html $$$$ -ISIS- 10201511232D 46 51 0 0 0 0 0 0 0 0999 V2000 7.1625 -7.3958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1625 -8.2583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9083 -8.6875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6542 -8.2583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6542 -7.3958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9083 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 -8.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1458 -8.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1458 -7.3958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4000 -6.9667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8875 -6.9667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8875 -6.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1458 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 -6.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6333 -7.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3792 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3792 -6.1083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6333 -5.6750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4167 -8.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -9.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1458 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8875 -7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3375 -9.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1250 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1250 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3792 -4.3875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6333 -4.8167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3792 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -8.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -8.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1833 -8.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -7.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4208 -6.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6333 -6.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1250 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8667 -6.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1250 -7.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1833 -7.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -6.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1833 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -6.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1833 -4.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8917 -4.3875 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 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 11 23 1 6 0 0 0 3 24 1 6 0 0 0 17 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 18 1 0 0 0 0 27 29 1 6 0 0 0 30 19 1 0 0 0 0 31 30 1 0 0 0 0 32 31 2 0 0 0 0 30 33 2 0 0 0 0 1 34 1 6 0 0 0 18 35 1 1 0 0 0 17 36 1 1 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 32 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 39 1 0 0 0 0 42 45 1 0 0 0 0 28 46 1 1 0 0 0 M END > CFN92209 > 3-beta-O-(cis-p-Coumaroyl)corosolic acid > 155800-17-2 > 98% > C39H54O6 > 618.9 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/3-beta-O-cis-p-Coumaroyl-corosolic-acid-CFN92209.html $$$$ -ISIS- 10201511232D 46 51 0 0 0 0 0 0 0 0999 V2000 7.1625 -7.3958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1625 -8.2583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9083 -8.6875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6542 -8.2583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6542 -7.3958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9083 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 -8.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1458 -8.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1458 -7.3958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4000 -6.9667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8875 -6.9667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8875 -6.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1458 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 -6.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6333 -7.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3792 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3792 -6.1083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6333 -5.6750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4167 -8.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -9.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1458 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8875 -7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3375 -9.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1250 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1250 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3792 -4.3875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6333 -4.8167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3792 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -8.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -8.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1833 -8.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -7.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -8.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -8.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9458 -8.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9458 -9.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -9.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -9.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -9.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4208 -6.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6333 -6.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1250 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8667 -6.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1250 -7.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8917 -4.3875 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 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 11 23 1 6 0 0 0 3 24 1 6 0 0 0 17 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 18 1 0 0 0 0 27 29 1 6 0 0 0 30 19 1 0 0 0 0 31 30 1 0 0 0 0 32 31 2 0 0 0 0 30 33 2 0 0 0 0 34 32 1 0 0 0 0 35 34 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 34 1 0 0 0 0 37 40 1 0 0 0 0 1 41 1 6 0 0 0 18 42 1 1 0 0 0 17 43 1 1 0 0 0 43 44 1 0 0 0 0 43 45 2 0 0 0 0 28 46 1 1 0 0 0 M END > CFN92274 > Jacoumaric acid > 63303-42-4 > 98% > C39H54O6 > 618.9 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Jacoumaric-acid-CFN92274.html $$$$ -ISIS- 10201511232D 38 42 0 0 0 0 0 0 0 0999 V2000 3.1750 -6.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1750 -7.0333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6958 -7.3333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2125 -7.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2125 -6.4333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6958 -6.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -7.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.4333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7333 -6.1333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7708 -6.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7708 -5.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -5.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -6.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -6.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -5.5333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2917 -5.2333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -7.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3958 -7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -6.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 -7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -4.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -4.3333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2917 -4.6333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6542 -6.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -7.6333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -6.7333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -6.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 -5.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -4.9333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7958 -7.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -3.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -4.3333 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 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 1 30 1 6 0 0 0 4 31 1 6 0 0 0 10 32 1 6 0 0 0 2 19 1 6 0 0 0 23 33 2 0 0 0 0 23 34 1 0 0 0 0 18 35 1 1 0 0 0 20 36 1 0 0 0 0 28 37 1 6 0 0 0 29 38 1 1 0 0 0 M END > CFN97462 > 2,3,24-Trihydroxy-12-ursen-28-oic acid > 89786-83-4 > 98% > C30H48O5 > 488.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/2-3-24-Trihydroxy-12-ursen-28-oic-acid-CFN97462.html $$$$ -ISIS- 10201511232D 38 42 0 0 0 0 0 0 0 0999 V2000 3.1750 -6.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1750 -7.0333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6958 -7.3333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2167 -7.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2167 -6.4333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6958 -6.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -7.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.4333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7333 -6.1333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7750 -6.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7750 -5.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -5.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -6.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -6.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -5.5333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2917 -5.2333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -7.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3958 -7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -6.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 -7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -4.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -4.3333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2917 -4.6333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6542 -6.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5958 -7.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -7.6333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -6.7333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -4.9333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -5.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -6.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -3.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -4.3333 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 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 2 19 1 6 0 0 0 1 30 1 6 0 0 0 25 31 1 0 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 18 34 1 1 0 0 0 35 23 1 0 0 0 0 23 36 2 0 0 0 0 28 37 1 6 0 0 0 29 38 1 1 0 0 0 M END > CFN99059 > Esculentic acid > 103974-74-9 > 98% > C30H48O5 > 488.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Esculentic-acid-CFN99059.html $$$$ -ISIS- 10201511232D 38 42 0 0 0 0 0 0 0 0999 V2000 3.1750 -6.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1750 -7.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6958 -7.3333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2167 -7.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2167 -6.4333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6958 -6.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -7.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.4333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7333 -6.1333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7750 -6.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7750 -5.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -5.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -6.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -6.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -5.5333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2917 -5.2333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -7.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3958 -7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -6.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 -7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -4.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -4.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -4.6333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6542 -6.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5958 -7.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -7.6333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -6.7333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -4.9333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -5.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -6.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -3.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -4.3333 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 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 1 30 1 6 0 0 0 25 31 1 0 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 18 34 1 1 0 0 0 35 23 1 0 0 0 0 23 36 2 0 0 0 0 28 37 2 0 0 0 0 29 38 1 1 0 0 0 2 19 1 1 0 0 0 M END > CFN98444 > Actinidic acid > 341971-45-7 > 98% > C30H46O5 > 486.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Actinidic-acid-CFN98444.html $$$$ -ISIS- 10201511232D 38 42 0 0 0 0 0 0 0 0999 V2000 3.1750 -6.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1750 -7.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6958 -7.3333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2167 -7.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2167 -6.4333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6958 -6.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -7.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.4333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7333 -6.1333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7750 -6.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7750 -5.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -5.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -6.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -6.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -5.5333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2917 -5.2333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -7.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3958 -7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -6.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 -7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -4.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -4.3333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2917 -4.6333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6542 -6.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5958 -7.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -7.6333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -6.7333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -4.9333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -5.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -6.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -3.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -4.3333 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 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 1 30 1 6 0 0 0 25 31 1 0 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 18 34 1 1 0 0 0 35 23 1 0 0 0 0 23 36 2 0 0 0 0 28 37 1 6 0 0 0 29 38 1 1 0 0 0 2 19 1 1 0 0 0 M END > CFN98688 > Asiatic acid > 464-92-6 > 98% > C30H48O5 > 488.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Asiatic-acid-CFN98688.html $$$$ -ISIS- 10201511232D 70 77 0 0 0 0 0 0 0 0999 V2000 0.2750 -4.9708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2750 -5.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0167 -6.2542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7625 -5.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7625 -4.9708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0167 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -4.9708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5125 -4.5417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0000 -4.5417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0000 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7458 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -3.6750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7458 -3.2458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4708 -6.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 -7.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -5.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 -3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -1.9542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7458 -2.3917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5125 -5.3958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -3.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 -4.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.8208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7208 -4.1042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7208 -4.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -5.3958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2125 -4.9708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2125 -4.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4667 -3.6750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4667 -2.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9542 -3.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9542 -5.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -4.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7208 -6.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -7.1167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2333 -6.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4833 -7.1167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4833 -7.9750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2333 -8.4042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9792 -7.9750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2333 -9.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -6.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7208 -8.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -8.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -7.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -8.8375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2500 -8.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -8.8375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5042 -9.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2500 -10.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0000 -9.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7625 -10.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -10.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -10.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -8.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -6.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -7.0042 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 3 20 1 6 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 17 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 18 1 0 0 0 0 10 29 1 6 0 0 0 30 23 1 0 0 0 0 23 31 2 0 0 0 0 28 32 1 1 0 0 0 27 33 1 6 0 0 0 18 34 1 1 0 0 0 35 30 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 35 1 0 0 0 0 40 41 1 6 0 0 0 39 42 1 1 0 0 0 38 43 1 6 0 0 0 37 44 1 1 0 0 0 1 45 1 6 0 0 0 44 46 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 47 1 0 0 0 0 47 46 1 1 0 0 0 51 53 1 1 0 0 0 49 54 1 1 0 0 0 52 55 1 6 0 0 0 50 56 1 6 0 0 0 54 57 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 58 1 0 0 0 0 58 56 1 1 0 0 0 61 64 1 1 0 0 0 63 65 1 6 0 0 0 62 66 1 6 0 0 0 60 67 1 6 0 0 0 3 68 1 1 0 0 0 4 69 1 6 0 0 0 20 70 1 0 0 0 0 M END > CFN99912 > Asiaticoside > 16830-15-2 > 98% > C48H78O19 > 959.12 > White powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Asiaticoside-CFN99912.html $$$$ -ISIS- 10201511232D 71 78 0 0 0 0 0 0 0 0999 V2000 0.2750 -4.9708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2750 -5.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0167 -6.2542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7625 -5.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7625 -4.9708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0167 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -6.2542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2500 -5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -4.9708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5125 -4.5417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0000 -4.5417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0000 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7458 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -3.6750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7458 -3.2458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4708 -6.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 -7.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -5.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 -3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -1.9542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7458 -2.3917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5125 -5.3958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -3.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 -4.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.8208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7208 -4.1042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7208 -4.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -5.3958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2125 -4.9708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2125 -4.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4667 -3.6750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4667 -2.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9542 -3.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9542 -5.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -4.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7208 -6.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -7.1167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2333 -6.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4833 -7.1167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4833 -7.9750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2333 -8.4042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9792 -7.9750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2333 -9.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -6.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7208 -8.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -8.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -7.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -8.8375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2500 -8.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -8.8375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5042 -9.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2500 -10.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0000 -9.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7625 -10.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -10.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -10.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -8.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -6.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -7.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -7.1167 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 3 20 1 6 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 17 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 18 1 0 0 0 0 10 29 1 6 0 0 0 30 23 1 0 0 0 0 23 31 2 0 0 0 0 28 32 1 1 0 0 0 27 33 1 6 0 0 0 18 34 1 1 0 0 0 35 30 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 35 1 0 0 0 0 40 41 1 6 0 0 0 39 42 1 1 0 0 0 38 43 1 6 0 0 0 37 44 1 1 0 0 0 1 45 1 6 0 0 0 44 46 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 47 1 0 0 0 0 47 46 1 1 0 0 0 51 53 1 1 0 0 0 49 54 1 1 0 0 0 52 55 1 6 0 0 0 50 56 1 6 0 0 0 54 57 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 58 1 0 0 0 0 58 56 1 1 0 0 0 61 64 1 1 0 0 0 63 65 1 6 0 0 0 62 66 1 6 0 0 0 60 67 1 6 0 0 0 3 68 1 1 0 0 0 4 69 1 6 0 0 0 20 70 1 0 0 0 0 7 71 1 1 0 0 0 M END > CFN99913 > Madecassoside > 34540-22-2 > 98% > C48H78O20 > 975.13 > White powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Madecassoside-CFN99913.html $$$$ -ISIS- 10201511232D 39 43 0 0 0 0 0 0 0 0999 V2000 1.0625 -6.0833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0625 -6.9875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8500 -7.4417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6333 -6.9875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6333 -6.0833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8500 -5.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 -7.4417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1958 -6.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -6.0833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4125 -5.6333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9833 -5.6333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9833 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7583 -6.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5458 -5.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5458 -4.7292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7583 -4.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2792 -7.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3958 -8.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6333 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9833 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -8.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -3.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5458 -2.9208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7583 -3.3708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2792 -5.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6333 -7.8917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 -6.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9833 -3.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -4.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -6.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5458 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9833 -2.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -9.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 -8.3458 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 1 30 1 6 0 0 0 4 31 1 6 0 0 0 10 32 1 6 0 0 0 18 33 1 1 0 0 0 34 23 1 0 0 0 0 23 35 2 0 0 0 0 28 36 1 6 0 0 0 29 37 1 1 0 0 0 2 19 1 1 0 0 0 25 38 1 0 0 0 0 7 39 1 1 0 0 0 M END > CFN99914 > Madecassic acid > 18449-41-7 > 98% > C30H48O6 > 504.70 > White cryst. > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Madecassic-acid-CFN99914.html $$$$ -ISIS- 10201511232D 38 42 0 0 0 0 0 0 0 0999 V2000 3.1750 -6.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1750 -7.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6958 -7.3333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2125 -7.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2125 -6.4333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6958 -6.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -7.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.4333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7333 -6.1333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7708 -6.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7708 -5.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -5.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -6.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -6.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -5.5333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2917 -5.2333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -7.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3958 -7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -6.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 -7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -4.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -4.3333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2917 -4.6333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8125 -3.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -4.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -6.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -4.9333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -7.6333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -6.7333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7958 -7.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 -5.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -6.4333 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 6 0 0 0 29 31 1 1 0 0 0 1 32 1 6 0 0 0 18 33 1 1 0 0 0 4 34 1 6 0 0 0 10 35 1 6 0 0 0 20 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 2 0 0 0 0 M END > CFN99481 > 2,24-Dihydroxyursolic acid > 143839-02-5 > 98% > C30H48O5 > 488.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/2-24-Dihydroxyursolic-acid-CFN99481.html $$$$ -ISIS- 10201511232D 38 42 0 0 0 0 0 0 0 0999 V2000 3.4667 -7.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -8.7250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2667 -9.1875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0792 -8.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0792 -7.7875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2667 -7.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -9.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -8.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -7.7875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8917 -7.3208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5042 -7.3208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5042 -6.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -5.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -6.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 -7.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1292 -7.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1292 -6.3875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3167 -5.9208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -9.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9375 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -8.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9375 -5.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9375 -4.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1292 -4.5208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3167 -4.9833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1292 -3.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -9.6542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -8.2542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 -6.8542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9375 -7.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7417 -6.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3833 -4.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8708 -10.0000 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 6 0 0 0 29 31 1 1 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 18 34 1 1 0 0 0 23 35 2 0 0 0 0 23 36 1 0 0 0 0 2 19 1 6 0 0 0 29 37 1 6 0 0 0 20 38 1 0 0 0 0 M END > CFN96162 > Barbinervic acid > 64199-78-6 > 98% > C30H48O5 > 488.7 > Powder > Triterpenoids > Pyridine, DMSO, etc. > http://www.chemfaces.com/natural/Barbinervic-acid-CFN96162.html $$$$ -ISIS- 10201511232D 47 52 0 0 0 0 0 0 0 0999 V2000 7.1625 -7.3958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1625 -8.2583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9083 -8.6875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6542 -8.2583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6542 -7.3958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9083 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 -8.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1458 -8.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1458 -7.3958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4000 -6.9667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8875 -6.9667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8875 -6.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1458 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 -6.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6333 -7.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3792 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3792 -6.1083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6333 -5.6750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4167 -8.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -9.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1458 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8875 -7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3375 -9.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1250 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1250 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3792 -4.3875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6333 -4.8167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3792 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -8.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -8.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1833 -8.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -7.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -8.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -8.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9458 -8.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9458 -9.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -9.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -9.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -9.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4208 -6.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2042 -4.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7750 -4.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6333 -6.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1250 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8667 -6.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1250 -7.3958 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 11 23 1 6 0 0 0 3 24 1 6 0 0 0 17 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 18 1 0 0 0 0 27 29 1 6 0 0 0 30 19 1 0 0 0 0 31 30 1 0 0 0 0 32 31 2 0 0 0 0 30 33 2 0 0 0 0 34 32 1 0 0 0 0 35 34 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 34 1 0 0 0 0 37 40 1 0 0 0 0 1 41 1 6 0 0 0 28 42 1 1 0 0 0 28 43 1 6 0 0 0 18 44 1 1 0 0 0 17 45 1 1 0 0 0 45 46 1 0 0 0 0 45 47 2 0 0 0 0 M END > CFN97843 > 3-O-trans-p-Coumaroyltormentic acid > 121064-78-6 > 98% > C39H54O7 > 634.86 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/3-O-trans-p-Coumaroyltormentic-acid-CFN97843.html $$$$ -ISIS- 10201511232D 38 42 0 0 0 0 0 0 0 0999 V2000 1.0625 -6.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -6.9875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8500 -7.4417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6333 -6.9875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6333 -6.0833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8500 -5.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 -7.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -6.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -6.0833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4125 -5.6333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9833 -5.6333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9833 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7583 -6.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5458 -5.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5458 -4.7292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7583 -4.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2792 -7.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3958 -8.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6333 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9833 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -8.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -3.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5458 -2.9208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7583 -3.3708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2042 -8.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6333 -7.8917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 -6.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -4.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -6.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5458 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7583 -5.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3083 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -3.3708 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 25 30 1 0 0 0 0 4 31 1 6 0 0 0 10 32 1 6 0 0 0 33 23 1 0 0 0 0 23 34 2 0 0 0 0 28 35 1 6 0 0 0 2 19 1 1 0 0 0 18 36 1 1 0 0 0 29 37 1 1 0 0 0 29 38 1 6 0 0 0 M END > CFN98547 > Rutundic acid > 20137-37-5 > 98% > C30H48O5 > 488.71 > White powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Rutundic-acid-CFN98547.html $$$$ -ISIS- 10201511232D 49 54 0 0 0 0 0 0 0 0999 V2000 0.2750 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -5.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0167 -6.2542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7625 -5.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7625 -4.9708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0167 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -4.9708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5125 -4.5417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0000 -4.5417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0000 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7458 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -3.6750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7458 -3.2458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4708 -6.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 -7.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -5.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 -3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -1.9542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7458 -2.3917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5125 -5.3958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -3.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 -4.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7208 -4.1042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7208 -4.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -5.3958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2125 -4.9708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2125 -4.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4667 -3.6750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4667 -2.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9542 -3.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9542 -5.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7208 -6.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -6.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -7.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7458 -4.1083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 -1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8833 -2.3917 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 3 20 1 6 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 17 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 18 1 0 0 0 0 10 29 1 6 0 0 0 30 23 1 0 0 0 0 23 31 2 0 0 0 0 27 32 1 6 0 0 0 33 30 1 1 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 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 38 39 1 6 0 0 0 37 40 1 1 0 0 0 36 41 1 6 0 0 0 35 42 1 1 0 0 0 42 43 1 0 0 0 0 3 44 1 1 0 0 0 4 45 1 6 0 0 0 20 46 1 0 0 0 0 18 47 1 1 0 0 0 28 48 1 1 0 0 0 28 49 1 6 0 0 0 M END > CFN99701 > Pedunculoside > 42719-32-4 > 98% > C36H58O10 > 650.84 > White powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Pedunculoside-CFN99701.html $$$$ -ISIS- 10201511232D 39 43 0 0 0 0 0 0 0 0999 V2000 3.1750 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -6.9917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6958 -7.2917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2125 -6.9917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2125 -6.3917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6958 -6.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -7.2917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2542 -6.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.3917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7333 -6.0917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7708 -6.0917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7708 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -6.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -5.4917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2917 -5.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -7.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -4.2917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2917 -4.5917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2125 -7.5917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -6.6917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 -5.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -6.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -5.7917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -4.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7125 -4.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -7.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 -7.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3958 -7.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7958 -7.8125 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 5 20 1 1 0 0 0 9 21 1 1 0 0 0 17 22 1 1 0 0 0 11 23 1 6 0 0 0 17 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 18 1 0 0 0 0 4 28 1 6 0 0 0 10 29 1 6 0 0 0 30 22 1 0 0 0 0 22 31 2 0 0 0 0 26 32 1 6 0 0 0 18 33 1 1 0 0 0 27 34 1 1 0 0 0 27 35 1 6 0 0 0 7 36 1 1 0 0 0 3 37 1 1 0 0 0 3 38 1 6 0 0 0 38 39 1 0 0 0 0 M END > CFN97476 > 3,6,19,23-Tetrahydroxy-12-ursen-28-oic acid > 91095-51-1 > 98% > C30H48O6 > 504.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/3-6-19-23-Tetrahydroxy-12-ursen-28-oic-acid-CFN97476.html $$$$ -ISIS- 10201511232D 40 44 0 0 0 0 0 0 0 0999 V2000 3.4625 -7.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -8.5750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2667 -9.0417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0750 -8.5750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0750 -7.6458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2667 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -9.0417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6833 -8.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6833 -7.6458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8792 -7.1792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4917 -7.1792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4917 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6833 -5.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -7.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -6.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2958 -5.7833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -9.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6833 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -8.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -5.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -4.3875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2958 -4.8542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0750 -9.5042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -8.1083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 -6.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -7.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -6.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -4.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 -5.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -9.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -9.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -9.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8708 -9.8458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -10.6500 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 5 20 1 1 0 0 0 9 21 1 1 0 0 0 17 22 1 1 0 0 0 11 23 1 6 0 0 0 17 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 18 1 0 0 0 0 4 28 1 6 0 0 0 10 29 1 6 0 0 0 30 22 1 0 0 0 0 22 31 2 0 0 0 0 26 32 1 6 0 0 0 18 33 1 1 0 0 0 27 34 1 1 0 0 0 27 35 1 6 0 0 0 7 36 1 1 0 0 0 3 37 1 1 0 0 0 3 38 1 6 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 M END > CFN99403 > 3,6,19-Trihydroxy-23-oxo-12-ursen-28-oic acid > 131984-82-2 > 98% > C30H46O6 > 502.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/3-6-19-Trihydroxy-23-oxo-12-ursen-28-oic-acid-CFN99403.html $$$$ -ISIS- 10201511232D 40 44 0 0 0 0 0 0 0 0999 V2000 3.4625 -7.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -8.5750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2667 -9.0417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0750 -8.5750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0750 -7.6458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2667 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -9.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6833 -8.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6833 -7.6458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8792 -7.1792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4917 -7.1792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4917 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6833 -5.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -7.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -6.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2958 -5.7833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -9.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6833 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -8.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -5.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -4.3875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2958 -4.8542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0750 -9.5042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -8.1083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 -6.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -7.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -6.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -4.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 -5.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -9.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -9.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -9.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8708 -9.8458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -10.6500 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 5 20 1 1 0 0 0 9 21 1 1 0 0 0 17 22 1 1 0 0 0 11 23 1 6 0 0 0 17 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 18 1 0 0 0 0 4 28 1 6 0 0 0 10 29 1 6 0 0 0 30 22 1 0 0 0 0 22 31 2 0 0 0 0 26 32 1 6 0 0 0 18 33 1 1 0 0 0 27 34 1 1 0 0 0 27 35 1 6 0 0 0 7 36 2 0 0 0 0 3 37 1 1 0 0 0 3 38 1 6 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 M END > CFN98299 > 3,19-Dihydroxy-6,23-dioxo-12-ursen-28-oic acid > 261768-88-1 > 98% > C30H44O6 > 500.7 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/3-19-Dihydroxy-6-23-dioxo-12-ursen-28-oic-acid-CFN98299.html $$$$ -ISIS- 10201511232D 37 41 0 0 0 0 0 0 0 0999 V2000 3.4625 -8.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -9.8792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2625 -10.3417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0708 -9.8792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0708 -8.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2625 -8.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -10.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -9.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -8.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8792 -8.4833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4875 -8.4833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4875 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -8.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -8.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -7.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2958 -7.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -10.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -11.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 -9.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -11.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -5.6917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2958 -6.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1042 -4.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -5.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 -10.8083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -9.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -8.0167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -8.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 -7.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -6.1542 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 6 0 0 0 29 31 1 1 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 18 34 1 1 0 0 0 23 35 2 0 0 0 0 23 36 1 0 0 0 0 2 19 1 1 0 0 0 29 37 1 6 0 0 0 M END > CFN99433 > Pomolic acid > 13849-91-7 > 98% > C30H48O4 > 472.7 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Pomolic-acid-CFN99433.html $$$$ -ISIS- 10201511232D 46 51 0 0 0 0 0 0 0 0999 V2000 2.9500 -9.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -10.6042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7375 -11.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5250 -10.6042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5250 -9.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7375 -9.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 -11.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -9.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3125 -9.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8875 -9.2417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8875 -8.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -7.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 -8.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6750 -9.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -9.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -8.3333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6750 -7.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1625 -11.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2833 -11.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -8.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -8.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -8.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -11.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -7.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -6.5125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6750 -6.9667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5250 -11.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 -10.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -8.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -9.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -11.5167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5875 -11.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -11.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -12.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5875 -12.8792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3750 -12.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5875 -13.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 -12.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -12.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6750 -8.7875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2208 -6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 -6.9667 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 4 30 1 6 0 0 0 10 31 1 6 0 0 0 32 23 1 0 0 0 0 23 33 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 34 19 1 1 0 0 0 38 40 1 1 0 0 0 39 41 1 6 0 0 0 28 43 1 6 0 0 0 37 42 1 1 0 0 0 18 44 1 1 0 0 0 29 45 1 1 0 0 0 29 46 1 6 0 0 0 M END > CFN98465 > Ziyuglycoside II > 35286-59-0 > 98% > C35H56O8 > 604.8 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Ziyuglycoside-II-CFN98465.html $$$$ -ISIS- 10201511232D 57 63 0 0 0 0 0 0 0 0999 V2000 6.5583 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5583 -4.9667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2792 -5.3833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0042 -4.9667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0042 -4.1292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2792 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7292 -5.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4542 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4542 -4.1292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7292 -3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1750 -3.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1750 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4542 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7292 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9000 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6292 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6292 -2.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9000 -2.4542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8292 -5.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8583 -6.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0042 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4542 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3500 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1750 -4.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6958 -6.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3500 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3500 -1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6292 -1.2000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9000 -1.6208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6292 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4833 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0042 -5.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7292 -4.5458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9000 -3.2917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3500 -4.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0750 -2.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0667 -1.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1083 -4.9667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1125 -4.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -3.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -4.1292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6625 -4.9667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3875 -5.3833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3875 -6.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -5.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -6.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9375 -6.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -6.6375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2167 -7.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9375 -7.8917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6625 -7.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4917 -6.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 -8.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -7.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -7.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7708 -6.6375 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 6 0 0 0 29 31 1 1 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 18 34 1 1 0 0 0 23 35 2 0 0 0 0 23 36 1 0 0 0 0 2 19 1 1 0 0 0 29 37 1 6 0 0 0 38 19 1 1 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 38 1 0 0 0 0 43 44 1 6 0 0 0 42 45 1 1 0 0 0 41 46 1 1 0 0 0 47 44 1 1 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 47 1 0 0 0 0 49 53 1 1 0 0 0 51 54 1 1 0 0 0 50 55 1 6 0 0 0 52 56 1 6 0 0 0 53 57 1 0 0 0 0 M END > CFN92273 > Ilexside I > 83725-19-3 > 98% > C41H66O13 > 472.7 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Randialic-acid-A-CFN92273.html $$$$ -ISIS- 10201511232D 48 53 0 0 0 0 0 0 0 0999 V2000 0.2750 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -5.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0167 -6.2542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7625 -5.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7625 -4.9708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0167 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -4.9708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5125 -4.5417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0000 -4.5417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0000 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7458 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -3.6750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7458 -3.2458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4708 -6.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 -7.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -5.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 -3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -1.9542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7458 -2.3917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5125 -5.3958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -3.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 -4.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7208 -4.1042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7208 -4.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -5.3958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2125 -4.9708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2125 -4.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4667 -3.6750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4667 -2.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9542 -3.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9542 -5.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7208 -6.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -6.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7458 -4.1083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 -1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8833 -2.3917 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 3 20 1 6 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 17 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 18 1 0 0 0 0 10 29 1 6 0 0 0 30 23 1 0 0 0 0 23 31 2 0 0 0 0 27 32 1 6 0 0 0 33 30 1 1 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 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 38 39 1 6 0 0 0 37 40 1 1 0 0 0 36 41 1 6 0 0 0 35 42 1 1 0 0 0 42 43 1 0 0 0 0 3 44 1 1 0 0 0 4 45 1 6 0 0 0 18 46 1 1 0 0 0 28 47 1 1 0 0 0 28 48 1 6 0 0 0 M END > CFN97328 > Pomolic acid 28-O-beta-D-glucopyranosyl ester > 83725-24-0 > 98% > C36H58O9 > 634.9 > White powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Pomolic-acid-28-O-beta-D-glucopyranosyl-ester-CFN97328.html $$$$ -ISIS- 10201511232D 57 63 0 0 0 0 0 0 0 0999 V2000 4.2750 -6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -7.7583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0125 -8.1833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7542 -7.7583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7542 -6.9042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0125 -6.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 -8.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2333 -7.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2333 -6.9042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4917 -6.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9708 -6.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9708 -5.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2333 -5.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 -5.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7083 -6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4500 -6.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4500 -5.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7083 -5.1958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5333 -8.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -6.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2333 -6.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1875 -6.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9708 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1875 -5.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1875 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4500 -3.9125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7083 -4.3417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4917 -7.3292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4500 -3.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7083 -6.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2833 -3.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -4.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -8.6083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -5.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1875 -6.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5875 -8.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -8.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6667 -6.0500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6667 -6.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4083 -7.3292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1458 -6.9042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1458 -6.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4083 -5.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8875 -5.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4083 -8.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4083 -4.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8875 -7.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1458 -8.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7958 -8.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0542 -8.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -8.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -9.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0542 -9.8917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7958 -9.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0542 -10.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -9.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5333 -9.8917 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 5 20 1 1 0 0 0 9 21 1 1 0 0 0 17 22 1 1 0 0 0 11 23 1 6 0 0 0 17 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 18 1 0 0 0 0 10 28 1 6 0 0 0 26 29 1 6 0 0 0 18 30 1 1 0 0 0 27 31 1 1 0 0 0 27 32 1 6 0 0 0 4 33 1 6 0 0 0 22 34 1 0 0 0 0 22 35 2 0 0 0 0 3 36 1 1 0 0 0 3 37 1 6 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 38 1 0 0 0 0 38 34 1 1 0 0 0 42 44 1 1 0 0 0 40 45 1 1 0 0 0 43 46 1 6 0 0 0 41 47 1 6 0 0 0 45 48 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 49 1 0 0 0 0 49 19 1 1 0 0 0 53 55 1 1 0 0 0 52 56 1 1 0 0 0 54 57 1 6 0 0 0 M END > CFN98464 > Ziyuglycoside I > 35286-58-9 > 98% > C41H66O13 > 767.0 > White powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Ziyuglycoside-I-CFN98464.html $$$$ -ISIS- 10201511232D 37 41 0 0 0 0 0 0 0 0999 V2000 3.4625 -8.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -9.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -10.3417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0708 -9.8792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0708 -8.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2625 -8.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -10.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -9.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -8.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8792 -8.4833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4875 -8.4833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4875 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -8.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -8.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -7.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2958 -7.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -10.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -11.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 -9.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -11.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -5.6917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2958 -6.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1042 -4.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -5.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 -10.8083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -9.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -8.0167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -8.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 -7.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -6.1542 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 6 0 0 0 29 31 1 1 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 18 34 1 1 0 0 0 23 35 2 0 0 0 0 23 36 1 0 0 0 0 2 19 2 0 0 0 0 29 37 1 6 0 0 0 M END > CFN92574 > 3-Oxopomolic acid > 13849-90-6 > 98% > C30H46O4 > 470.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/3-Oxopomolic-acid-CFN92574.html $$$$ -ISIS- 10201511232D 38 42 0 0 0 0 0 0 0 0999 V2000 3.4625 -8.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -9.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -10.3417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0708 -9.8792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0708 -8.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2625 -8.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -10.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -9.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -8.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8792 -8.4833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4875 -8.4833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4875 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -8.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -8.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -7.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2958 -7.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -10.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -11.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 -9.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -11.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -5.6917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2958 -6.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1042 -4.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -5.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 -10.8083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -9.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -8.0167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -8.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 -7.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -6.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5208 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 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 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 6 0 0 0 29 31 1 1 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 18 34 1 1 0 0 0 23 35 2 0 0 0 0 23 36 1 0 0 0 0 2 19 2 0 0 0 0 29 37 1 6 0 0 0 36 38 1 0 0 0 0 M END > CFN92820 > 3-Oxopomolic acid methyl ester > 14440-23-4 > 98% > C31H48O4 > 484.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/3-Oxopomolic-acid-methyl-ester-CFN92820.html $$$$ -ISIS- 10201511232D 38 42 0 0 0 0 0 0 0 0999 V2000 3.1750 -7.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -7.9583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6958 -8.2583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2125 -7.9583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2125 -7.3583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6958 -7.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -8.2583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2542 -7.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.3583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7333 -7.0583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7708 -7.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7708 -6.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -6.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -7.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -7.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -6.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2917 -6.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -8.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3958 -8.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -6.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -6.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -7.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 -8.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -6.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -5.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -5.2625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2917 -5.5583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8125 -4.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -8.5583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -7.6583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -6.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -7.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 -6.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -8.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -5.5583 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 6 0 0 0 29 31 1 1 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 18 34 1 1 0 0 0 23 35 2 0 0 0 0 23 36 1 0 0 0 0 2 19 1 1 0 0 0 7 37 1 1 0 0 0 29 38 1 6 0 0 0 M END > CFN99349 > Uncaric acid > 123135-05-7 > 98% > C30H48O5 > 488.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Uncaric-acid-CFN99349.html $$$$ -ISIS- 10201511232D 38 42 0 0 0 0 0 0 0 0999 V2000 3.4625 -8.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -9.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -10.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0750 -9.7833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0750 -8.8542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2750 -8.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8833 -10.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6917 -9.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -8.8542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8833 -8.3875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4958 -8.3875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4958 -7.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -6.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8833 -7.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 -8.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1125 -8.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1125 -7.4542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3042 -6.9917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -10.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8083 -11.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -7.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -7.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9208 -7.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -9.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -11.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9208 -6.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9208 -6.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1125 -5.5917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3042 -6.0583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1125 -4.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8375 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -10.7167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8833 -9.3208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 -7.9208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9208 -8.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 -7.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8833 -11.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3708 -6.0583 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 6 0 0 0 29 31 1 1 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 18 34 1 1 0 0 0 23 35 2 0 0 0 0 23 36 1 0 0 0 0 2 19 2 0 0 0 0 7 37 1 1 0 0 0 29 38 1 6 0 0 0 M END > CFN99892 > 6,19-Dihydroxyurs-12-en-3-oxo-28-oic acid > 194027-11-7 > 98% > C30H46O5 > 486.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/6-19-Dihydroxyurs-12-en-3-oxo-28-oic-acid-CFN99892.html $$$$ -ISIS- 10201511232D 38 42 0 0 0 0 0 0 0 0999 V2000 3.1750 -7.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1750 -8.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6917 -8.3583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2125 -8.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2125 -7.4583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6917 -7.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -8.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -8.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.4583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7333 -7.1583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7708 -7.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7708 -6.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -6.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -7.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -7.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -6.5583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2917 -6.2583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -8.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -8.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -6.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -6.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -7.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -8.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -6.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -5.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -5.3583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2917 -5.6583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8125 -4.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -7.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -8.6583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -7.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -6.8583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -7.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 -6.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -5.6583 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 6 0 0 0 1 31 1 6 0 0 0 29 32 1 1 0 0 0 4 33 1 6 0 0 0 10 34 1 6 0 0 0 18 35 1 1 0 0 0 23 36 2 0 0 0 0 23 37 1 0 0 0 0 2 19 1 1 0 0 0 29 38 1 6 0 0 0 M END > CFN99434 > Tormentic acid > 13850-16-3 > 98% > C30H48O5 > 488.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Tormentic-acid-CFN99434.html $$$$ -ISIS- 10201511232D 47 52 0 0 0 0 0 0 0 0999 V2000 7.1625 -7.3958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1625 -8.2583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9083 -8.6875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6542 -8.2583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6542 -7.3958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9083 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 -8.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1458 -8.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1458 -7.3958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4000 -6.9667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8875 -6.9667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8875 -6.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1458 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 -6.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6333 -7.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3792 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3792 -6.1083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6333 -5.6750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4167 -8.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -9.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1458 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8875 -7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3375 -9.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1250 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1250 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3792 -4.3875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6333 -4.8167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3792 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -8.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -8.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1833 -8.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -7.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4208 -6.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2042 -4.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7750 -4.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6333 -6.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1250 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8667 -6.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1250 -7.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1833 -7.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -6.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1833 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -6.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1833 -4.8167 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 11 23 1 6 0 0 0 3 24 1 6 0 0 0 17 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 18 1 0 0 0 0 27 29 1 6 0 0 0 30 19 1 0 0 0 0 31 30 1 0 0 0 0 32 31 2 0 0 0 0 30 33 2 0 0 0 0 1 34 1 6 0 0 0 28 35 1 1 0 0 0 28 36 1 6 0 0 0 18 37 1 1 0 0 0 17 38 1 1 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 32 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 41 1 0 0 0 0 44 47 1 0 0 0 0 M END > CFN92211 > 3-O-cis-p-Coumaroyltormentic acid > 121072-40-0 > 98% > C39H54O7 > 634.9 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/3-O-cis-p-Coumaroyltormentic-acid-CFN92211.html $$$$ -ISIS- 10201511232D 38 42 0 0 0 0 0 0 0 0999 V2000 3.4625 -8.9458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4625 -9.8792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2625 -10.3417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0708 -9.8792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0708 -8.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2625 -8.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -10.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -9.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -8.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8792 -8.4833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4875 -8.4833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4875 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -8.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -8.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -7.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2958 -7.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -10.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -11.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 -9.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -11.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -5.6917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2958 -6.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1042 -4.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -8.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -5.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 -10.8083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -9.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -8.0167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -8.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 -7.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -6.1542 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 6 0 0 0 1 31 1 6 0 0 0 29 32 1 1 0 0 0 4 33 1 6 0 0 0 10 34 1 6 0 0 0 18 35 1 1 0 0 0 23 36 2 0 0 0 0 23 37 1 0 0 0 0 2 19 1 6 0 0 0 29 38 1 6 0 0 0 M END > CFN98888 > Euscaphic acid > 53155-25-2 > 98% > C30H48O5 > 488.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Euscaphic-acid-CFN98888.html $$$$ -ISIS- 10201511232D 44 48 0 0 0 0 0 0 0 0999 V2000 3.7208 -7.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7208 -8.0583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2417 -8.3583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7625 -8.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7625 -7.4583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2417 -7.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -8.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -8.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -7.4583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2792 -7.1583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3208 -7.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3208 -6.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -6.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -6.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 -7.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3583 -7.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3583 -6.5583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8375 -6.2583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2000 -8.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -8.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 -6.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -6.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -6.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3208 -7.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -8.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -6.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -5.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3583 -5.3583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8375 -5.6583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3583 -4.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -7.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 -8.6583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -7.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 -6.8583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -7.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 -6.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6833 -7.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -7.1583 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -7.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6833 -8.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -8.3583 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -8.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -5.6583 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 6 0 0 0 1 31 1 6 0 0 0 29 32 1 1 0 0 0 4 33 1 6 0 0 0 10 34 1 6 0 0 0 18 35 1 1 0 0 0 2 19 1 6 0 0 0 23 36 2 0 0 0 0 23 37 1 0 0 0 0 31 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 19 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 29 44 1 6 0 0 0 M END > CFN97578 > 2,3-Di-O-methylthiomethyleuscaphic acid > N/A > 98% > C34H56O5S2 > 609.0 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/2-3-Di-O-methylthiomethyleuscaphic-acid-CFN97578.html $$$$ -ISIS- 10201511232D 41 46 0 0 0 0 0 0 0 0999 V2000 3.4083 -7.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4083 -8.0583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9250 -8.3583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4458 -8.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4458 -7.4583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9250 -7.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -8.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -8.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -7.4583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9667 -7.1583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0042 -7.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0042 -6.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -6.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -6.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -7.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0458 -7.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0458 -6.5583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5250 -6.2583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6250 -8.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4458 -6.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -6.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 -6.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -7.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -8.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 -6.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 -5.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0458 -5.3583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5250 -5.6583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0458 -4.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9458 -5.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4458 -8.6583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -7.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -6.8583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 -7.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0833 -6.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 -7.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4833 -7.7583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8375 -8.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -7.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -8.0583 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 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 19 1 1 0 0 0 5 20 1 1 0 0 0 9 21 1 1 0 0 0 17 22 1 1 0 0 0 11 23 1 6 0 0 0 3 24 1 6 0 0 0 17 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 18 1 0 0 0 0 27 29 1 6 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 18 34 1 1 0 0 0 22 35 2 0 0 0 0 22 36 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 1 37 1 6 0 0 0 2 39 1 6 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 M END > CFN98095 > 2,3-O-Isopropylidenyl euscaphic acid > 220880-90-0 > 98% > C33H52O5 > 528.8 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/2-3-O-Isopropylidenyl-euscaphic-acid-CFN98095.html $$$$ -ISIS- 10201511232D 38 42 0 0 0 0 0 0 0 0999 V2000 3.4625 -8.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4625 -9.8792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2625 -10.3417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0708 -9.8792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0708 -8.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2625 -8.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -10.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -9.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -8.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8792 -8.4833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4875 -8.4833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4875 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -8.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -8.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -7.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2958 -7.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -10.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -11.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 -9.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -11.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -5.6917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2958 -6.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1042 -4.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -8.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -5.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 -10.8083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -9.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -8.0167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -8.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 -7.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -6.1542 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 6 0 0 0 1 31 1 1 0 0 0 29 32 1 1 0 0 0 4 33 1 6 0 0 0 10 34 1 6 0 0 0 18 35 1 1 0 0 0 23 36 2 0 0 0 0 23 37 1 0 0 0 0 2 19 1 1 0 0 0 29 38 1 6 0 0 0 M END > CFN99310 > 2-Epitormentic acid > 119725-19-8 > 98% > C30H48O5 > 488.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/2-Epitormentic-acid-CFN99310.html $$$$ -ISIS- 10201511232D 38 42 0 0 0 0 0 0 0 0999 V2000 3.4625 -8.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -9.8792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2625 -10.3417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0708 -9.8792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0708 -8.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2625 -8.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -10.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -9.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -8.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8792 -8.4833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4875 -8.4833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4875 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -8.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -8.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -7.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2958 -7.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -10.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -11.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 -9.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -11.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -5.6917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2958 -6.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1042 -4.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -8.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -5.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 -10.8083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -9.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -8.0167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -8.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 -7.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -6.1542 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 6 0 0 0 1 31 2 0 0 0 0 29 32 1 1 0 0 0 4 33 1 6 0 0 0 10 34 1 6 0 0 0 18 35 1 1 0 0 0 23 36 2 0 0 0 0 23 37 1 0 0 0 0 2 19 1 1 0 0 0 29 38 1 6 0 0 0 M END > CFN98920 > 2-Oxopomolic acid > 54963-52-9 > 98% > C30H46O5 > 486.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/2-Oxopomolic-acid-CFN98920.html $$$$ -ISIS- 10201511232D 38 42 0 0 0 0 0 0 0 0999 V2000 3.1750 -7.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -8.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6958 -8.3583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2125 -8.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2125 -7.4583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6958 -7.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -8.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -8.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.4583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7333 -7.1583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7708 -7.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7708 -6.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -6.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -7.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -7.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -6.5583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2917 -6.2583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -8.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -6.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -6.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -7.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -6.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -5.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -5.3583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2917 -5.6583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7333 -7.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -4.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -6.8583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -5.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -8.6583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 -6.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -7.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3958 -8.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 -8.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -7.1583 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 2 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 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 2 0 0 0 0 5 20 1 1 0 0 0 9 21 1 1 0 0 0 17 22 1 1 0 0 0 11 23 1 6 0 0 0 17 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 18 1 0 0 0 0 10 28 1 6 0 0 0 26 29 1 6 0 0 0 18 30 1 1 0 0 0 27 31 1 1 0 0 0 27 32 1 6 0 0 0 4 33 1 6 0 0 0 22 34 1 0 0 0 0 22 35 2 0 0 0 0 3 36 1 1 0 0 0 3 37 1 6 0 0 0 1 38 1 0 0 0 0 M END > CFN99311 > Fupenzic acid > 119725-20-1 > 98% > C30H44O5 > 484.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Fupenzic-acid-CFN99311.html $$$$ -ISIS- 10201511232D 39 43 0 0 0 0 0 0 0 0999 V2000 3.4625 -8.9458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4625 -9.8792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2625 -10.3417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0708 -9.8792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0708 -8.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2625 -8.4833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8792 -10.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -9.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -8.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8792 -8.4833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4875 -8.4833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4875 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -8.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -8.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -7.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2958 -7.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -10.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -11.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 -9.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -11.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -5.6917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2958 -6.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1042 -4.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -8.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -5.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 -10.8083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -9.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -8.0167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -8.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 -7.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -6.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -7.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 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 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 6 0 0 0 1 31 1 6 0 0 0 29 32 1 1 0 0 0 4 33 1 6 0 0 0 10 34 1 6 0 0 0 18 35 1 1 0 0 0 23 36 2 0 0 0 0 23 37 1 0 0 0 0 2 19 1 6 0 0 0 29 38 1 6 0 0 0 6 39 1 1 0 0 0 M END > CFN92609 > 1beta-Hydroxyeuscaphic acid > 120211-98-5 > 98% > C30H48O6 > 504.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/1-Hydroxyeuscaphic-acid-CFN92609.html $$$$ -ISIS- 10201511232D 39 43 0 0 0 0 0 0 0 0999 V2000 3.4625 -8.9458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4625 -9.8792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2625 -10.3417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0708 -9.8792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0708 -8.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2625 -8.4833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8792 -10.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -9.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -8.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8792 -8.4833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4875 -8.4833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4875 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -8.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -8.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -7.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2958 -7.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -10.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -11.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 -9.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -11.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -5.6917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2958 -6.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1042 -4.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -8.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -5.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 -10.8083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -9.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -8.0167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -8.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 -7.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -6.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -7.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 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 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 6 0 0 0 1 31 1 6 0 0 0 29 32 1 1 0 0 0 4 33 1 6 0 0 0 10 34 1 6 0 0 0 18 35 1 1 0 0 0 23 36 2 0 0 0 0 23 37 1 0 0 0 0 2 19 1 1 0 0 0 29 38 1 6 0 0 0 6 39 1 1 0 0 0 M END > CFN99233 > 1,2,3,19-Tetrahydroxy-12-ursen-28-oic acid > 113558-03-5 > 98% > C30H48O6 > 504.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/1-2-3-19-Tetrahydroxy-12-ursen-28-oic-acid-CFN99233.html $$$$ -ISIS- 10201511232D 39 43 0 0 0 0 0 0 0 0999 V2000 3.4625 -8.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -9.8792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2625 -10.3417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0708 -9.8792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0708 -8.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2625 -8.4833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8792 -10.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -9.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -8.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8792 -8.4833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4875 -8.4833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4875 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -8.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -8.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -7.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2958 -7.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -10.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -11.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 -9.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -11.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -5.6917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2958 -6.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1042 -4.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -8.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -5.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 -10.8083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -9.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -8.0167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -8.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 -7.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -6.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -7.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 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 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 6 0 0 0 1 31 2 0 0 0 0 29 32 1 1 0 0 0 4 33 1 6 0 0 0 10 34 1 6 0 0 0 18 35 1 1 0 0 0 23 36 2 0 0 0 0 23 37 1 0 0 0 0 2 19 1 1 0 0 0 29 38 1 6 0 0 0 6 39 1 1 0 0 0 M END > CFN98080 > 1-Hydroxy-2-oxopomolic acid > 217466-37-0 > 98% > C30H46O6 > 502.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/1-Hydroxy-2-oxopomolic-acid-CFN98080.html $$$$