9547460 CDK 0720211221 33 35 0 0 0 0 0 0 0 0999 V2000 1.6500 -4.6984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -4.6984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7992 5.1045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 0.2516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5079 -0.5734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2885 0.5030 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2885 -0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7700 -0.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 0.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -0.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5449 1.2872 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5079 1.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 0.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -0.5734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9938 1.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -1.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3521 1.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -2.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6085 2.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -3.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -3.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4157 2.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -3.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -4.2859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7935 -4.2859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0789 -4.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6720 3.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -3.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 3.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7356 4.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5428 4.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5821 -1.2708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9813 0.6118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24 1 1 6 0 0 0 25 2 1 1 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 1 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 32 1 6 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 33 1 6 0 0 0 7 8 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 10 16 2 0 0 0 0 11 15 1 6 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 22 27 2 0 0 0 0 23 25 1 0 0 0 0 23 28 2 0 0 0 0 24 26 1 0 0 0 0 25 26 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 M END > CHEBI:176865 > (5Z,7E,22E,24E,26E)-(1S,3R)-26a,26b-dihomo-27-nor-9,10-seco-5,7,10(19),22,24,26(26a)-cholestahexaene-1,3,26b-triol > 2 > (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3E,5E,7E)-9-hydroxynona-3,5,7-trien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol > C28H40O3 > 424.625 > 424.29775 > 0 > O[C@@H]1C\C(=C\C=C/2\[C@]3([C@@]([C@](CC3)([C@H](C)/C=C/C=C/C=C/CO)[H])(CCC2)C)[H])\C([C@@H](O)C1)=C > InChI=1S/C28H40O3/c1-20(10-7-5-4-6-8-17-29)25-14-15-26-22(11-9-16-28(25,26)3)12-13-23-18-24(30)19-27(31)21(23)2/h4-8,10,12-13,20,24-27,29-31H,2,9,11,14-19H2,1,3H3/b5-4+,8-6+,10-7+,22-12+,23-13-/t20-,24-,25-,26+,27+,28-/m1/s1 > DHSBJCJEENJGKO-QDVNLBANSA-N > LMST03020312 $$$$