20055994 CDK 0409211651 38 41 0 0 0 0 0 0 0 0999 V2000 7.5782 -2.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3978 0.0465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -2.8841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0908 2.2380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7689 3.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0636 2.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 -1.1910 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5413 -0.3660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3219 -0.1146 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3616 -1.6091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8268 -1.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3219 -1.4423 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3549 -2.4684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1124 -1.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8033 -0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8268 0.0465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5832 -2.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8401 -2.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0992 -2.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5782 0.6696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5969 -1.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 -2.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 0.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1124 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8081 -2.4744 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8149 -1.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3680 -0.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1735 -3.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9984 -3.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3855 0.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0273 1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6418 1.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4491 1.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7053 2.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1544 3.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5126 2.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0147 -0.0058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3577 -3.1697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 6 0 0 0 2 24 2 0 0 0 0 25 3 1 1 0 0 0 4 32 2 0 0 0 0 5 36 1 0 0 0 0 6 36 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 22 1 6 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 23 1 1 0 0 0 9 15 1 0 0 0 0 9 20 1 0 0 0 0 9 37 1 6 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 21 1 0 0 0 0 10 27 1 1 0 0 0 11 14 2 0 0 0 0 11 18 1 0 0 0 0 12 15 1 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 13 38 1 6 0 0 0 14 24 1 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 20 30 1 0 0 0 0 20 31 1 6 0 0 0 21 26 1 0 0 0 0 25 26 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 M END > CHEBI:167979 > Ganolucidic acid B > 2 > (6R)-6-[(3S,5R,10S,13R,14R,15S,17R)-3,15-dihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid > C30H46O6 > 502.692 > 502.32944 > 0 > O[C@@H]1[C@@]2([C@@]([C@](C1)([C@@H](CC(=O)CC(C)C(O)=O)C)[H])(CC(=O)C=3[C@@]4([C@](C([C@@H](O)CC4)(C)C)(CCC23)[H])C)C)C > InChI=1S/C30H46O6/c1-16(12-18(31)13-17(2)26(35)36)20-14-24(34)30(7)19-8-9-22-27(3,4)23(33)10-11-28(22,5)25(19)21(32)15-29(20,30)6/h16-17,20,22-24,33-34H,8-15H2,1-7H3,(H,35,36)/t16-,17?,20-,22+,23+,24+,28+,29-,30-/m1/s1 > YPYHGMCHNBTMDB-GOGDEKJESA-N > 98683-75-1 > 98683-75-1 $$$$