13991774 CDK 1019211303 38 41 0 0 0 0 0 0 0 0999 V2000 5.8269 0.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5593 -2.9968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -3.0140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0001 1.0502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7690 3.4027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0637 2.0045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 -0.4958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5413 -1.3208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8269 -1.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1124 -1.3208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3616 -1.7389 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3219 -0.2444 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8269 -0.0833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1124 -0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 -2.5983 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3219 -1.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8401 -2.5926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8034 -0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0992 -3.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5969 -1.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5783 0.5398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5832 -3.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3680 -0.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8149 -1.7092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8081 -2.6042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3855 0.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0273 1.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6419 1.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4491 1.6643 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7054 2.4485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1544 3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5126 2.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6156 -2.0181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4369 -2.0793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7197 -0.9702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0148 -0.1355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3577 -3.2995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 6 0 0 0 17 2 1 6 0 0 0 26 3 1 6 0 0 0 30 4 1 6 0 0 0 5 33 1 0 0 0 0 6 33 2 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 21 1 1 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 34 1 6 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 35 1 1 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 36 1 6 0 0 0 11 15 1 0 0 0 0 11 20 1 0 0 0 0 11 24 1 1 0 0 0 12 18 1 0 0 0 0 12 22 1 0 0 0 0 12 37 1 6 0 0 0 13 14 1 0 0 0 0 15 19 1 0 0 0 0 15 23 1 0 0 0 0 15 38 1 1 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 20 25 1 0 0 0 0 22 27 1 0 0 0 0 22 28 1 6 0 0 0 23 26 1 0 0 0 0 25 26 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 1 0 0 0 31 33 1 0 0 0 0 M END > CHEBI:181665 > (24R,25R)-3alpha,7alpha,12alpha,24-Tetrahydroxy-5beta-cholestan-26-oic acid > 2 > (2R,3R,6R)-3-hydroxy-2-methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid > C27H46O6 > 466.659 > 466.32944 > 0 > O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@H]3O)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CC[C@@H](O)[C@@H](C)C(O)=O)C)[H])[H])C > InChI=1S/C27H46O6/c1-14(5-8-21(29)15(2)25(32)33)18-6-7-19-24-20(13-23(31)27(18,19)4)26(3)10-9-17(28)11-16(26)12-22(24)30/h14-24,28-31H,5-13H2,1-4H3,(H,32,33)/t14-,15-,16+,17-,18-,19+,20+,21-,22-,23+,24+,26+,27-/m1/s1 > FAYYTQMQTAKHRM-ARIMCAHSSA-N $$$$