LMST05040007 LIPID_MAPS_STRUCTURE_DATABASE 45 48 0 0 0 999 V2000 8.6938 9.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7146 8.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7146 7.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 6.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6732 7.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6524 6.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6322 7.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6322 8.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6524 9.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6732 8.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6524 10.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6322 10.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6110 10.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6110 9.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5701 9.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5701 10.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5906 10.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6110 11.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6732 9.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5906 11.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7124 12.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3741 12.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1575 11.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9410 12.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7244 11.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5080 12.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2881 10.8751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5906 12.5958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8557 6.8378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4910 6.8378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6732 6.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2092 11.6784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9106 12.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6117 11.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3130 12.0832 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.5080 12.8092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3130 13.0078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9829 11.4135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2471 12.3335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3467 11.0090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6322 11.5937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6710 8.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6829 9.2537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6525 8.1389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1670 11.1336 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 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 6 0 0 0 25 27 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 20 28 1 1 0 0 0 3 29 1 6 0 0 0 7 30 1 6 0 0 0 5 31 1 1 0 0 0 26 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 26 36 2 0 0 0 0 35 37 2 0 0 0 0 35 38 2 0 0 0 0 35 39 1 0 0 0 0 25 40 1 1 0 0 0 12 41 1 6 0 0 0 14 42 1 6 0 0 8 43 1 1 0 0 9 44 1 6 0 0 17 45 1 6 0 0 M END > LMST05040007 > > (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-27-oyl taurine > C29H51NO7S > 557.34 > Sterol Lipids [ST] > Steroid conjugates [ST05] > Taurine conjugates [ST0504] > - > > LUBLVJXOGCYWKT-NDPLYMFXSA-N > InChI=1S/C29H51NO7S/c1-17(6-5-7-18(2)27(34)30-12-13-38(35,36)37)21-8-9-22-26-23(16-25(33)29(21,22)4)28(3)11-10-20(31)14-19(28)15-24(26)32/h17-26,31-33H,5-16H2,1-4H3,(H,30,34)(H,35,36,37)/t17-,18-,19+,20-,21-,22+,23+,24-,25+,26+,28+,29-/m1/s1 > C1[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@]([H])([C@]([H])(C)CCC[C@@]([H])(C)C(=O)NCCS(O)(=O)=O)CC[C@@]4([H])[C@]3([H])[C@H](O)C[C@]2([H])C[C@H](O)C1 > - > - > - > ST 27:1;O4;Tau > - > - > 101941270 > - > Sterol Lipids [ST] > Bile acids and derivatives [ST04] > C27 bile acids, alcohols, and derivatives [ST0403] > - > 30466 > 19011113 $$$$