5284234 CDK 1203211123 37 40 0 0 0 0 0 0 0 0999 V2000 5.8269 0.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -3.2422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9366 -0.1323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7690 3.1745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0637 1.7763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 -0.7240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5413 -1.5490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8269 -1.9615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1124 -1.5490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3616 -1.9671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3219 -0.4726 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8269 -0.3115 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1124 -0.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 -2.8265 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3219 -1.8004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8401 -2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8034 -1.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0992 -3.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5969 -1.5018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5783 0.3116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5832 -3.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3680 -1.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8149 -1.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8081 -2.8324 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3855 0.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0273 0.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6419 1.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4491 1.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7054 2.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1544 2.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5126 2.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6156 -2.2463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4369 -2.3075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7197 -1.1984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0148 -0.3638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3577 -3.5277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 6 0 0 0 25 2 1 6 0 0 0 3 26 1 0 0 0 0 4 32 1 0 0 0 0 5 32 2 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 20 1 1 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 33 1 6 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 34 1 1 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 35 1 6 0 0 0 10 14 1 0 0 0 0 10 19 1 0 0 0 0 10 23 1 1 0 0 0 11 17 1 0 0 0 0 11 21 1 0 0 0 0 11 36 1 6 0 0 0 12 13 1 0 0 0 0 14 18 1 0 0 0 0 14 22 1 0 0 0 0 14 37 1 1 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 19 24 1 0 0 0 0 21 26 1 0 0 0 0 21 27 1 6 0 0 0 22 25 1 0 0 0 0 24 25 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 M END > CHEBI:186692 > 3alpha,12alpha,22-Trihydroxy-5beta-cholestan-26-oic acid > 2 > (6S)-6-[(3R,5R,8R,9S,10S,12S,13S,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-2-methylheptanoic acid > C27H46O5 > 450.660 > 450.33452 > 0 > O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](CC3)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](C(O)CCC(C)C(O)=O)C)[H])[H])C > InChI=1S/C27H46O5/c1-15(25(31)32)5-10-23(29)16(2)20-8-9-21-19-7-6-17-13-18(28)11-12-26(17,3)22(19)14-24(30)27(20,21)4/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15?,16-,17+,18+,19-,20+,21-,22-,23?,24-,26-,27+/m0/s1 > NKHARVSPBOBBTD-MFZMKPEQSA-N > LMST04030061 $$$$