LMST05030012 LIPID_MAPS_STRUCTURE_DATABASE 42 45 0 0 0 999 V2000 8.6991 7.3438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9597 8.8359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9542 10.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0922 10.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1009 9.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8256 10.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8221 9.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5464 9.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5499 10.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6894 10.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9569 9.8126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7941 11.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6787 11.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5366 12.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6908 12.7781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3768 11.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2206 12.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0608 11.7933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8210 8.3705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2440 8.8359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2440 7.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1009 7.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9597 7.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3925 9.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5411 8.8359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5411 7.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3925 7.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2440 9.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5390 11.2089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9198 12.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1009 8.3465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2440 6.8622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2241 13.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9139 12.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7636 11.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6167 12.2762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7602 10.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8106 7.3530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7158 7.3438 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7158 8.3271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7158 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 7.3438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 6 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 7 8 1 0 0 0 0 2 11 1 1 0 0 0 6 12 1 1 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 1 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 7 19 1 6 0 0 0 5 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 2 1 0 0 0 0 20 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 21 1 0 0 0 0 20 28 1 1 0 0 0 10 29 1 6 0 0 0 13 30 1 6 0 0 0 5 31 1 6 0 0 0 21 32 1 1 0 0 0 26 1 1 6 0 0 0 17 33 2 0 0 0 0 18 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 23 38 1 1 0 0 0 1 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 2 0 0 0 0 39 42 1 0 0 0 0 M END > LMST05030012 > > N-[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfoxy)cholan-24-yl]-Glycine > C26H43NO8S > 529.27 > Sterol Lipids [ST] > Steroid conjugates [ST05] > Glycine conjugates [ST0503] > - > > DKXXSIJHWWVNMO-XROMFQGDSA-N > InChI=1S/C26H43NO8S/c1-15(4-7-22(29)27-14-23(30)31)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(35-36(32,33)34)12-16(25)13-21(24)28/h15-21,24,28H,4-14H2,1-3H3,(H,27,29)(H,30,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21+,24+,25+,26-/m1/s1 > O(S(O)(=O)=O)[C@H]1C[C@@]2([H])C[C@H](O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@@](C)([H])CCC(=O)NCC(=O)O)[C@@]4(C)CC[C@]3([H])[C@@]2(C)CC1 > - > HMDB0002409 > 89129 > - > - > - > 21116917 > - > Sterol Lipids [ST]; Sterol Lipids [ST] > Steroid conjugates [ST05]; Bile acids and derivatives [ST04] > Sulfates [ST0502]; C24 bile acids, alcohols, and derivatives [ST0401] > -; - > - > - $$$$