LMST05010023 LIPID_MAPS_STRUCTURE_DATABASE 51 55 0 0 0 999 V2000 15.6894 8.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6839 10.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8561 10.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8458 9.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5394 10.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5361 9.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2293 9.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2329 10.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3879 10.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6865 9.6945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5085 11.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3912 11.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2198 12.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3891 12.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0450 11.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8735 12.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5351 8.2783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0043 8.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0043 7.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8458 7.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6894 7.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1681 9.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3319 8.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3319 7.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1681 7.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0043 9.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4960 7.2871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5254 7.2797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6839 11.6564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8735 13.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7096 11.6369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0043 6.7971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1788 11.0886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6831 12.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6820 12.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6749 11.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6749 10.8985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3408 12.0095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8458 8.2197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 5.4563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6662 5.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5228 6.9192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9349 8.0029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4037 8.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5115 7.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0886 6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0890 6.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5174 7.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9403 7.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3686 8.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7087 9.6735 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 1 10 1 1 0 0 0 21 1 1 0 0 0 0 5 2 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 6 0 0 0 3 4 1 0 0 0 0 4 18 1 0 0 0 0 4 39 1 6 0 0 0 5 6 1 0 0 0 0 9 5 1 0 0 0 0 5 11 1 1 0 0 0 6 7 1 0 0 0 0 6 17 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 12 1 0 0 0 0 9 33 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 1 0 0 0 12 34 1 6 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 30 2 0 0 0 0 16 31 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 18 26 1 1 0 0 0 19 20 1 0 0 0 0 25 19 1 0 0 0 0 19 32 1 1 0 0 0 20 21 1 0 0 0 0 21 28 1 6 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 6 0 0 0 31 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 44 50 1 0 0 0 49 43 1 0 0 0 43 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 1 0 0 46 40 1 6 0 0 47 41 1 1 0 0 48 42 1 6 0 0 50 51 2 0 0 0 45 27 1 1 0 0 M END > LMST05010023 > Glycocholic acid 3-glucuronide > N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)-glycine 3-D-glucuronide > C32H51NO12 > 641.34 > Sterol Lipids [ST] > Steroid conjugates [ST05] > Glucuronides [ST0501] > - > > BWWWIHHYPYDOJQ-VXRFQTOZSA-N > InChI=1S/C32H51NO12/c1-14(4-7-22(36)33-13-23(37)38)17-5-6-18-24-19(12-21(35)32(17,18)3)31(2)9-8-16(10-15(31)11-20(24)34)44-30-27(41)25(39)26(40)28(45-30)29(42)43/h14-21,24-28,30,34-35,39-41H,4-13H2,1-3H3,(H,33,36)(H,37,38)(H,42,43)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26+,27-,28+,30-,31+,32-/m1/s1 > [C@]12([C@H](O)C[C@]3([H])C[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O4)CC[C@]3(C)[C@@]1([H])C[C@H](O)[C@]1(C)[C@@]([H])([C@@](C)([H])CCC(NCC(O)=O)=O)CC[C@@]21[H])[H] > - > HMDB02472 > - > - > - > - > 21252304 > - > Sterol Lipids [ST]; Sterol Lipids [ST] > Steroid conjugates [ST05]; Bile acids and derivatives [ST04] > Glycine conjugates [ST0503]; C24 bile acids, alcohols, and derivatives [ST0401] > -; - > - > - $$$$