LMST04060003 LIPID_MAPS_STRUCTURE_DATABASE 33 36 0 0 0 0 0 0 0 0999 V2000 6.8904 7.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1116 6.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1116 5.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8904 5.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6693 5.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4482 5.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2272 5.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2272 6.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4482 7.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6693 6.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4482 8.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2272 8.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0059 8.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0059 7.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5638 7.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5638 8.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7849 8.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0059 8.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6693 7.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7849 9.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0525 9.4589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4080 9.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0311 9.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6693 5.2475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 5.5234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8110 5.4229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2272 9.2158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0297 8.6553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2272 7.5089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4312 6.4377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0059 6.4962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2893 8.8344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7849 10.0299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 20 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 1 10 1 0 0 0 0 5 10 1 0 0 0 0 9 10 1 0 0 0 0 8 14 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 1 0 0 0 10 19 1 1 0 0 0 20 21 1 6 0 0 0 5 24 1 1 0 0 0 3 25 1 6 0 0 0 7 26 1 6 0 0 0 12 27 1 6 0 0 0 23 28 1 0 0 0 0 8 29 1 1 0 0 0 9 30 1 6 0 0 0 14 31 1 6 0 0 0 17 32 1 6 0 0 0 20 33 1 1 0 0 0 M END > LMST04060003 > > 24-Nor-5beta-cholane-3alpha,7alpha,12alpha,23-tetrol > C23H40O4 > 380.29 > Sterol Lipids [ST] > Bile acids and derivatives [ST04] > C23 bile acids, alcohols, and derivatives [ST0406] > - > > SLNNQUHVOGVMBG-ZTSBSJDLSA-N > InChI=1S/C23H40O4/c1-13(7-9-24)16-4-5-17-21-18(12-20(27)23(16,17)3)22(2)8-6-15(25)10-14(22)11-19(21)26/h13-21,24-27H,4-12H2,1-3H3/t13-,14+,15-,16-,17+,18+,19-,20+,21+,22+,23-/m1/s1 > C1[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@]([H])([C@]([H])(C)CCO)CC[C@@]4([H])[C@]3([H])[C@H](O)C[C@]2([H])C[C@H](O)C1 > - > - > 168526 > ST 23:0;O4 > - > - > 5284299 > BBA0494 > - > - > - > - > - > - $$$$