LMST05040021 LIPID_MAPS_STRUCTURE_DATABASE 41 44 0 0 0 999 V2000 8.3687 8.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4182 8.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4182 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3687 6.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3192 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2695 6.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2203 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2203 8.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2695 8.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3192 8.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2695 9.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2203 10.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1707 9.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1707 8.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0718 8.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0718 9.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1213 10.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1707 10.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3192 8.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1213 11.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2275 11.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8816 11.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6422 11.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4025 11.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7382 6.7027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9328 6.5799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7209 8.2253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3192 6.3659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4025 12.4686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1628 11.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2203 9.1256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2488 7.8183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1707 7.8898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7368 10.7432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1213 12.2020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0297 11.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8963 11.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7631 11.7660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3046 11.0903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0376 12.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6299 12.2663 0.0000 O 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 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 3 25 1 6 0 0 0 7 26 1 6 0 0 0 15 27 1 6 0 0 0 5 28 1 1 0 0 0 24 29 2 0 0 0 0 24 30 1 0 0 0 0 8 31 1 1 0 0 0 9 32 1 6 0 0 0 14 33 1 6 0 0 0 17 34 1 6 0 0 0 20 35 1 1 0 0 0 30 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 2 0 0 0 38 40 2 0 0 0 38 41 1 0 0 0 M END > LMST05040021 > > N-(3alpha,7alpha,15alpha-Trihydroxy-5beta-cholan-24-oyl)-taurine > C26H45NO7S > 515.29 > Sterol Lipids [ST] > Steroid conjugates [ST05] > Taurine conjugates [ST0504] > - > > AOIWIEZEAQBWNH-BOHNWZBFSA-N > InChI=1S/C26H45NO7S/c1-15(4-5-22(31)27-10-11-35(32,33)34)19-14-21(30)24-23-18(7-9-26(19,24)3)25(2)8-6-17(28)12-16(25)13-20(23)29/h15-21,23-24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18+,19-,20-,21+,23+,24+,25+,26-/m1/s1 > C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(NCCS(O)(=O)=O)=O)C[C@H](O)[C@@]4([H])[C@]3([H])[C@H](O)C[C@]2([H])C[C@H](O)C1 > - > - > - > ST 24:1;O4;Tau > - > - > 162981706 > - > Sterol Lipids [ST] > Bile acids and derivatives [ST04] > C24 bile acids, alcohols, and derivatives [ST0401] > - > 41691 > 16648547 $$$$