5283997 CDK 1202211637 32 35 0 0 0 0 0 0 0 0999 V2000 6.1171 -2.5195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -2.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2631 2.9255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5578 1.5273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0991 -0.0186 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0991 -0.8436 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3847 -1.2561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8797 0.2327 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6702 -0.8436 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3847 0.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8797 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6702 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3612 -0.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9195 -1.2617 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3979 -2.1153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1361 1.0169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0991 0.8063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6571 -2.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9129 -2.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9258 -0.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1549 -0.7964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9433 1.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5851 1.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1412 -2.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3729 -1.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1995 1.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -2.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0068 2.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1733 -1.5409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9946 -1.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5725 0.3415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2775 -0.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15 1 1 6 0 0 0 2 27 2 0 0 0 0 3 28 1 0 0 0 0 4 28 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 17 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 29 1 6 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 30 1 1 0 0 0 8 13 1 0 0 0 0 8 16 1 0 0 0 0 8 31 1 6 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 32 1 6 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 1 0 0 0 14 21 1 0 0 0 0 15 18 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 6 0 0 0 18 19 1 0 0 0 0 19 24 2 0 0 0 0 21 25 2 0 0 0 0 22 26 1 0 0 0 0 24 27 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 M END > CHEBI:185743 > 7alpha-Hydroxy-3-oxochola-1,4-dien-24-oic Acid > 2 > (4R)-4-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid > C24H34O4 > 386.532 > 386.24571 > 0 > O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCC(O)=O)C)[H])(CC[C@@]2([C@@]4(C(C1)=CC(=O)C=C4)C)[H])C)[H])[H] > InChI=1S/C24H34O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h8,10,12,14,17-20,22,26H,4-7,9,11,13H2,1-3H3,(H,27,28)/t14-,17-,18+,19+,20-,22+,23+,24-/m1/s1 > DSJUPINAPLIUNZ-NLXMLWGDSA-N > LMST04010242 $$$$