LMST04010480 LIPID_MAPS_STRUCTURE_DATABASE 46 50 0 0 0 0 0 0 0 0999 V2000 8.5294 -6.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5871 -7.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5871 -8.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5294 -8.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4717 -8.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4141 -8.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3565 -8.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3565 -7.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4141 -6.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4717 -7.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4141 -5.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3565 -4.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2987 -5.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1833 -6.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1833 -5.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2411 -4.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2987 -4.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4717 -6.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2411 -4.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3551 -3.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9949 -3.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7488 -4.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5026 -3.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9130 -8.5735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4717 -8.9073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5026 -2.8571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2563 -4.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3565 -6.1713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3936 -7.4673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2987 -7.3965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8512 -4.5676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2411 -3.1211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2987 -6.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5311 -10.6735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5635 -11.0179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1082 -10.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2767 -9.4843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8906 -7.2595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2160 -8.7920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6008 -8.3731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5888 -8.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2322 -8.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8876 -9.9068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9039 -10.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2606 -9.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2562 -5.0494 0.0000 C 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 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 19 1 0 0 0 0 19 21 1 0 0 0 0 21 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 13 16 1 0 0 0 0 13 17 1 1 0 0 0 10 18 1 1 0 0 0 19 20 1 6 0 0 0 3 24 1 6 0 0 0 5 25 1 1 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 8 28 1 1 0 0 0 9 29 1 6 0 0 0 16 31 1 6 0 0 0 19 32 1 1 0 0 0 13 33 1 0 0 0 0 33 14 1 0 0 0 0 33 30 1 6 0 0 0 8 33 1 0 0 0 0 36 37 1 0 0 0 14 38 1 6 0 0 45 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 37 1 1 0 0 42 39 1 6 0 0 43 34 1 1 0 0 44 35 1 6 0 0 41 38 1 1 0 0 27 46 1 0 0 0 M END > LMST04010480 > > methyl 3alpha-hydroxy-15alpha-O-beta-D-glucopyranosyloxy-5beta-cholan-24-oate > C31H52O9 > 568.36 > Sterol Lipids [ST] > Bile acids and derivatives [ST04] > C24 bile acids, alcohols, and derivatives [ST0401] > - > > VTPBASGHCOJJAZ-UHUQWPHHSA-N > InChI=1S/C31H52O9/c1-16(5-8-24(34)38-4)21-14-22(39-29-28(37)27(36)26(35)23(15-32)40-29)25-19-7-6-17-13-18(33)9-11-30(17,2)20(19)10-12-31(21,25)3/h16-23,25-29,32-33,35-37H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22+,23-,25-,26-,27+,28-,29-,30+,31-/m1/s1 > C1[C@]2(C)[C@@]3([H])CC[C@]4([C@@]([C@]3([H])CC[C@]2([H])C[C@H](O)C1)([H])[C@@H](O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C[C@]4([H])[C@]([H])(C)CCC(OC)=O)C > - > - > - > ST 25:1;O4;Hex > - > - > - > - > - > - > - > - > 656917 > 42476486 $$$$