LMST05020025 LIPID_MAPS_STRUCTURE_DATABASE 42 45 0 0 0 999 V2000 12.9352 8.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9296 10.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0743 10.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0829 9.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7943 10.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7908 9.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5016 9.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5052 10.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6513 10.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7630 11.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6409 11.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2327 8.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2327 7.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0829 7.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9352 7.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3879 9.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5430 8.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5430 7.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3879 7.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2327 9.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6983 7.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4920 12.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7896 12.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7908 8.3343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3432 11.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1943 12.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0455 11.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6409 12.7438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5013 11.2932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0829 8.3255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9352 9.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7857 7.3435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2327 6.8528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1943 13.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7155 7.3554 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7155 8.3382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7155 6.3725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 7.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7686 7.3435 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.7686 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7514 7.3435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7686 8.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 5 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 6 7 1 0 0 0 0 5 10 1 1 0 0 0 9 11 1 0 0 0 0 4 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 1 1 0 0 0 0 12 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 13 1 0 0 0 0 12 20 1 1 0 0 0 18 21 1 6 0 0 0 11 22 1 0 0 0 0 11 23 1 6 0 0 0 6 24 1 6 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 11 28 1 1 0 0 0 9 29 1 6 0 0 0 4 30 1 6 0 0 0 1 31 1 1 0 0 0 15 32 1 6 0 0 0 13 33 1 1 0 0 0 26 34 2 0 0 0 0 21 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 2 0 0 0 0 35 38 1 0 0 0 0 32 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 39 42 2 0 0 0 0 M END > LMST05020025 > Chenodeoxycholic acid disulfate > 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic acid 3,7-disulfate > C24H40O10S2 > 552.21 > Sterol Lipids [ST] > Steroid conjugates [ST05] > Sulfates [ST0502] > - > > BWXSDJHAJWTEAD-BSWAIDMHSA-N > InChI=1S/C24H40O10S2/c1-14(4-7-21(25)26)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(33-35(27,28)29)12-15(23)13-20(22)34-36(30,31)32/h14-20,22H,4-13H2,1-3H3,(H,25,26)(H,27,28,29)(H,30,31,32)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 > [C@@]12([H])[C@H](OS(=O)(O)=O)C[C@]3([H])C[C@H](OS(O)(=O)=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@]([H])(C)CCC(=O)O)CC[C@@]21[H] > - > HMDB0000545 > 166726 > - > - > - > 13990213 > - > Sterol Lipids [ST] > Bile acids and derivatives [ST04] > C24 bile acids, alcohols, and derivatives [ST0401] > - > - > - $$$$