LMST05020027 LIPID_MAPS_STRUCTURE_DATABASE 42 45 0 0 0 999 V2000 12.9496 8.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9440 10.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0877 10.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0963 9.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8095 10.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8061 9.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5188 9.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5224 10.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6676 10.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8285 11.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6572 11.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2452 8.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2452 7.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0963 7.3423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9496 7.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3995 9.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5536 8.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5536 7.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3995 7.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2452 9.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7080 7.3517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5091 12.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8049 12.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8061 8.3317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3614 11.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2134 12.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0656 11.7621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6572 12.7461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5186 11.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0963 8.3228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9496 9.8005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2452 6.8486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2134 13.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7241 7.3517 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7241 6.3677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7241 8.3356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7401 7.3517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9440 11.7785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4520 12.6306 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.6000 12.1387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3042 13.1226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9601 13.4828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 1 6 1 0 0 0 5 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 5 6 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 5 1 0 0 0 6 7 1 0 0 0 5 10 1 1 0 0 9 11 1 0 0 0 4 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 1 1 0 0 0 12 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 13 1 0 0 0 12 20 1 1 0 0 18 21 1 6 0 0 11 22 1 0 0 0 11 23 1 6 0 0 6 24 1 6 0 0 22 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 11 28 1 1 0 0 9 29 1 6 0 0 4 30 1 6 0 0 1 31 1 1 0 0 13 32 1 1 0 0 26 33 2 0 0 0 21 34 1 0 0 0 34 35 2 0 0 0 34 36 2 0 0 0 34 37 1 0 0 0 2 38 1 6 0 0 38 39 1 0 0 0 39 40 2 0 0 0 39 41 2 0 0 0 39 42 1 0 0 0 M END > LMST05020027 > Deoxycholic acid disulfate > 3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid 3,12-disulfate > C24H40O10S2 > 552.21 > Sterol Lipids [ST] > Steroid conjugates [ST05] > Sulfates [ST0502] > - > > BYHNMIVTBIJJFZ-LLQZFEROSA-N > InChI=1S/C24H40O10S2/c1-14(4-9-22(25)26)18-7-8-19-17-6-5-15-12-16(33-35(27,28)29)10-11-23(15,2)20(17)13-21(24(18,19)3)34-36(30,31)32/h14-21H,4-13H2,1-3H3,(H,25,26)(H,27,28,29)(H,30,31,32)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1 > [C@@]12([H])CC[C@]3([H])C[C@H](OS(O)(=O)=O)CC[C@]3(C)[C@@]1([H])C[C@H](OS(O)(=O)=O)[C@]1(C)[C@@]([H])([C@]([H])(C)CCC(=O)O)CC[C@@]21[H] > - > HMDB0000659 > 166728 > - > - > - > 457190 > - > Sterol Lipids [ST] > Bile acids and derivatives [ST04] > C24 bile acids, alcohols, and derivatives [ST0401] > - > - > - $$$$