LMST05040025 LIPID_MAPS_STRUCTURE_DATABASE 41 44 0 0 0 999 V2000 8.3669 9.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4142 8.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4142 7.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3669 7.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3197 7.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2725 7.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2254 7.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2254 8.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2725 9.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3197 8.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2725 10.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2254 10.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1780 10.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1780 9.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0836 9.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0836 10.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1309 10.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1780 11.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3197 9.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1309 11.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2350 12.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8931 12.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6554 11.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4175 12.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 7.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2725 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9396 7.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3197 6.8897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4175 13.0069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1796 11.8013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2254 9.6561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2517 8.3456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1780 8.4173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7478 11.2774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1309 12.7398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0457 12.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9116 11.8011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7777 12.3010 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.6437 11.8009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7778 13.3010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6437 12.8010 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 2 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 6 26 1 1 0 0 0 7 27 1 1 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 > LMST05040025 > tauro-delta-22-beta-muricholic acid > N-(3alpha,6beta,7beta-Trihydroxy-5beta-22-cholen-24-oyl)-taurine > C26H43NO7S > 513.28 > Sterol Lipids [ST] > Steroid conjugates [ST05] > Taurine conjugates [ST0504] > - > > JZAIXDCPNUAWTQ-KAJAMYNGSA-N > InChI=1S/C26H43NO7S/c1-15(4-7-21(29)27-12-13-35(32,33)34)17-5-6-18-22-19(9-11-25(17,18)2)26(3)10-8-16(28)14-20(26)23(30)24(22)31/h4,7,15-20,22-24,28,30-31H,5-6,8-14H2,1-3H3,(H,27,29)(H,32,33,34)/b7-4+/t15-,16-,17-,18+,19+,20+,22+,23+,24-,25-,26-/m1/s1 > C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)/C=C/C(NCCS(O)(=O)=O)=O)CC[C@@]4([H])[C@]3([H])[C@@H](O)[C@@H](O)[C@]2([H])C[C@H](O)C1 > - > - > 182390 > ST 24:2;O4;Tau > - > - > 101346691 > - > Sterol Lipids [ST] > Bile acids and derivatives [ST04] > C24 bile acids, alcohols, and derivatives [ST0401] > - > 10116 > 8496661 $$$$