LMST05010044 LIPID_MAPS_STRUCTURE_DATABASE 47 51 0 0 0 999 V2000 10.5022 9.2884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6536 8.7988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8002 9.2884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6536 7.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9561 8.7988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8002 7.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5022 7.3350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9561 7.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2198 9.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8002 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1208 7.3350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 10.3974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2945 9.1222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7831 10.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7777 12.7885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9114 12.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9202 11.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6532 12.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6497 11.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3820 11.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3857 12.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5212 12.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7804 11.7690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6216 13.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5104 13.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3723 14.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5225 14.7486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2166 13.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0643 14.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9086 13.7590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6485 10.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0593 10.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0593 9.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9202 9.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7831 9.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2037 11.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3484 10.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3484 9.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2037 9.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0593 11.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3748 13.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7479 14.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9202 10.2957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0679 15.2382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0593 8.8045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6382 9.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7777 13.7765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 6 0 0 0 5 8 1 0 0 0 0 5 9 1 1 0 0 0 6 10 1 1 0 0 0 8 11 1 6 0 0 0 9 12 1 0 0 0 0 9 13 2 0 0 0 0 6 8 1 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 18 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 18 1 0 0 0 0 19 20 1 0 0 0 0 14 23 1 1 0 0 0 18 24 1 1 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 1 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 19 31 1 6 0 0 0 17 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 14 1 0 0 0 0 32 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 33 1 0 0 0 0 32 40 1 1 0 0 0 22 41 1 6 0 0 0 25 42 1 6 0 0 0 17 43 1 6 0 0 0 38 1 1 6 0 0 0 29 44 2 0 0 0 0 33 45 1 1 0 0 0 35 46 1 6 0 0 0 15 47 1 6 0 0 0 M END > LMST05010044 > Cholic acid glucuronide > 3alpha-[(beta-D-Glucopyranuronosyl)oxy]-7alpha,12alpha-dihydroxy-5beta-cholanoic acid > C30H48O11 > 584.32 > Sterol Lipids [ST] > Steroid conjugates [ST05] > Glucuronides [ST0501] > - > > RBLDVEUUCHVWMW-SXYQVCRBSA-N > InChI=1S/C30H48O11/c1-13(4-7-21(33)34)16-5-6-17-22-18(12-20(32)30(16,17)3)29(2)9-8-15(10-14(29)11-19(22)31)40-28-25(37)23(35)24(36)26(41-28)27(38)39/h13-20,22-26,28,31-32,35-37H,4-12H2,1-3H3,(H,33,34)(H,38,39)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24+,25-,26+,28-,29+,30-/m1/s1 > 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)O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]2(C)CC1)[C@H]1[C@H](O)[C@H]([C@H](O)[C@@H](C(=O)O)O1)O > - > HMDB0002577 > 137056 > ST 24:1;O5;GlcA > - > - > 21252309 > - > Sterol Lipids [ST] > Bile acids and derivatives [ST04] > C24 bile acids, alcohols, and derivatives [ST0401] > - > - > - $$$$