LMST05040006 LIPID_MAPS_STRUCTURE_DATABASE 45 48 0 0 0 999 V2000 8.6897 9.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7096 8.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7096 7.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6897 6.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6701 7.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6505 6.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6312 7.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6312 8.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6505 9.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6701 8.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6505 10.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6312 10.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6114 10.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6114 9.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5725 9.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5725 10.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5920 10.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6114 11.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6701 9.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5920 11.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6700 11.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3763 12.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1606 11.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9450 12.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7294 11.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5136 12.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2925 10.8741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5920 12.5966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6897 9.8867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8497 6.8326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4910 6.8326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6701 6.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2158 11.6783 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9179 12.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6199 11.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3219 12.0837 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.5136 12.8103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3219 13.0091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9924 11.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2570 12.3341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3522 11.0081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2443 11.2085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7730 8.2733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6506 8.1877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6311 9.2748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 1 29 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 32 1 1 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 6 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 10 1 0 0 0 0 10 19 1 1 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 1 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 20 21 1 6 0 0 0 20 28 1 1 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 25 41 1 1 0 0 0 26 33 1 0 0 0 0 26 37 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 38 2 0 0 0 0 36 39 2 0 0 0 0 36 40 1 0 0 0 0 17 42 1 6 0 0 14 43 1 6 0 0 9 44 1 6 0 0 8 45 1 1 0 0 M END > LMST05040006 > > (25R)-1beta,3alpha,7alpha-trihydroxy-5beta-cholestan-27-oyl taurine > C29H51NO7S > 557.34 > Sterol Lipids [ST] > Steroid conjugates [ST05] > Taurine conjugates [ST0504] > - > > GEKBRICZVLQPMG-ASQAXTEZSA-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(10-11-28(21,22)3)29(4)19(15-24(26)32)14-20(31)16-25(29)33/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 > [C@H]1(O)[C@]2(C)[C@@]3([H])CC[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 > - > - > 42608424 > - > Sterol Lipids [ST] > Bile acids and derivatives [ST04] > C27 bile acids, alcohols, and derivatives [ST0403] > - > 30466 > 19011113 $$$$