LMST01031323 LIPID_MAPS_STRUCTURE_DATABASE 39 43 0 0 0 999 V2000 8.6614 9.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7799 9.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7799 8.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6614 7.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5426 8.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3888 7.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2701 8.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2701 9.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3888 9.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5426 9.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3888 10.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2701 11.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1162 10.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1162 9.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8439 9.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8439 10.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9976 11.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1162 11.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5426 10.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9976 12.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1162 12.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8791 12.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7253 12.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6068 12.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4527 12.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4527 10.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3342 12.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6656 11.4315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3888 6.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9976 13.0749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1162 8.4894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5039 7.2683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3888 8.8523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6803 13.0484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6307 13.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9159 9.5272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9159 7.5268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5248 11.0428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3188 11.5172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17 13 1 0 0 0 0 12 13 1 0 0 0 0 13 18 1 1 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 8 14 1 0 0 0 0 10 9 1 0 0 0 0 8 9 1 0 0 0 0 11 9 1 0 0 0 0 7 8 2 0 0 0 0 5 10 1 0 0 0 0 10 19 1 1 0 0 0 1 10 1 0 0 0 0 16 17 1 0 0 0 0 20 17 1 0 0 0 0 17 28 1 6 0 0 0 11 12 1 0 0 0 0 16 15 1 0 0 0 0 6 7 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 0 0 0 0 29 6 2 0 0 0 0 22 20 1 0 0 0 0 20 21 1 0 0 0 0 2 1 1 0 0 0 0 22 23 1 0 0 0 0 24 23 1 0 0 0 0 3 4 1 0 0 0 0 25 24 1 0 0 0 0 27 25 1 0 0 0 0 26 25 1 0 0 0 0 3 2 1 0 0 0 0 14 31 1 6 0 0 20 30 1 1 0 0 0 5 32 1 1 0 0 9 33 1 6 0 0 22 34 1 6 0 0 24 35 1 0 0 0 2 36 1 1 0 0 3 37 1 1 0 0 11 38 1 6 0 0 23 34 1 1 0 0 25 39 1 0 0 0 M END > LMST01031323 > 25-hydroxyatrotosterone B > 22R,23R-epoxy-2beta,3beta,11alpha,14alpha,20R,25-hexahydroxy-24-methyl-5beta-cholest-7-en-6-one > C28H44O8 > 508.30 > Sterol Lipids [ST] > Sterols [ST01] > Ergosterols and C24-methyl derivatives [ST0103] > - > > XBKREFDHEBPCKQ-CUHMKKOTSA-N > InChI=1S/C28H44O8/c1-13(24(2,3)33)22-23(36-22)27(6,34)20-7-8-28(35)15-10-16(29)14-9-17(30)18(31)11-25(14,4)21(15)19(32)12-26(20,28)5/h10,13-14,17-23,30-35H,7-9,11-12H2,1-6H3/t13?,14-,17+,18-,19+,20-,21+,22+,23+,25-,26+,27+,28+/m0/s1 > C1[C@H](O)[C@H](O)C[C@@]2([H])C(=O)C=C3[C@]([H])([C@H](O)C[C@]4([C@@]3(O)CC[C@]4([H])[C@](O)(C)[C@@H]3O[C@@H]3C(C)C(O)(C)C)C)[C@]21C > - > - > - > ST 28:3;O8 > - > - > 101935917 > - > - > - > - > - > 72122 > - $$$$