LMST05010046 LIPID_MAPS_STRUCTURE_DATABASE 46 50 0 0 0 999 V2000 10.5011 9.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6527 8.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7996 9.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6527 7.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9557 8.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7996 7.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5011 7.3347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9557 7.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2195 9.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7996 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1206 7.3347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4080 10.3964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2945 9.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7810 10.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7755 12.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9095 12.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9182 11.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6508 12.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6473 11.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3793 11.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3829 12.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5186 12.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7782 11.7676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6192 13.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5078 13.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3696 14.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5199 14.7465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2136 13.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0612 14.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9052 13.7571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6462 10.3188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0575 10.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0575 9.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9182 9.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7810 9.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2022 11.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3470 10.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3470 9.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2022 9.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0575 11.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3720 13.1701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7455 14.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9182 10.2947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0646 15.2359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0575 8.8038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7755 13.7746 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 15 46 1 6 0 0 0 M END > LMST05010046 > Deoxycholic acid 3-glucuronide > > C30H48O10 > 568.32 > Sterol Lipids [ST] > Steroid conjugates [ST05] > Glucuronides [ST0501] > - > > NNEIBJNHWVDJBA-GYSLYLNXSA-N > InChI=1S/C30H48O10/c1-14(4-9-22(32)33)18-7-8-19-17-6-5-15-12-16(10-11-29(15,2)20(17)13-21(31)30(18,19)3)39-28-25(36)23(34)24(35)26(40-28)27(37)38/h14-21,23-26,28,31,34-36H,4-13H2,1-3H3,(H,32,33)(H,37,38)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24+,25-,26+,28-,29+,30-/m1/s1 > O([C@H]1C[C@@]2([H])CC[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 > - > HMDB02596 > 145757 > ST 24:1;O4;GlcA > - > - > 44263368 > - > Sterol Lipids [ST] > Bile acids and derivatives [ST04] > C24 bile acids, alcohols, and derivatives [ST0401] > - > - > - $$$$