LMST05010076 LIPID_MAPS_STRUCTURE_DATABASE 45 48 0 0 0 999 V2000 9.4339 6.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4848 6.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5358 6.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5358 8.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4848 8.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4848 9.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4007 10.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4007 11.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4848 11.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4339 8.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4848 12.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4007 13.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3165 12.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3165 11.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1481 11.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1481 12.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2323 13.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3165 13.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2371 8.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2323 14.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3711 14.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9649 14.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6977 14.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4303 14.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1628 14.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8955 14.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1628 13.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7327 6.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9659 13.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3165 11.0077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0355 13.8610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2323 15.0463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3911 15.1846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3209 14.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8217 12.7195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1831 12.5449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3929 11.2255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9289 13.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6415 14.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6084 13.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8587 12.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1461 12.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3965 11.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7498 10.5516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2999 6.4087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 20 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 1 10 1 0 0 0 0 5 10 1 0 0 0 0 8 14 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 1 0 0 0 10 19 2 0 0 0 0 20 21 1 6 0 0 0 3 28 1 6 0 0 0 25 29 1 0 0 0 0 14 30 1 6 0 0 0 17 31 1 6 0 0 0 20 32 1 1 0 0 0 37 43 1 0 0 0 42 36 1 0 0 0 36 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 1 0 0 38 29 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 43 44 2 0 0 0 1 45 1 1 0 0 M END > LMST05010076 > 1alpha,25-dihydroxyvitamin D3 25-glucuronide > (5Z,7E)-1alpha,3beta-dihydroxy-10-seco-5,7,10(19)-cholestatrien-25-yl beta-D-glucopyranosiduronic acid > C33H52O9 > 592.36 > Sterol Lipids [ST] > Steroid conjugates [ST05] > Glucuronides [ST0501] > - > calcitriol 25-O-glucoronide > UBEXJJQDSPZXNL-BHNPUNFPSA-N > InChI=1S/C33H52O9/c1-18(8-6-14-32(3,4)42-31-28(38)26(36)27(37)29(41-31)30(39)40)23-12-13-24-20(9-7-15-33(23,24)5)10-11-21-16-22(34)17-25(35)19(21)2/h10-11,18,22-29,31,34-38H,2,6-9,12-17H2,1,3-5H3,(H,39,40)/b20-10+,21-11-/t18-,22-,23-,24+,25+,26+,27+,28-,29+,31+,33-/m1/s1 > [C@@H]1(O)C(=C)/C(=C\C=C2\[C@]3([H])CC[C@@]([H])([C@@]3(C)CCC\2)[C@]([H])(C)CCCC(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O2)(C)C)/C[C@@H](O)C1 > - > - > 139600 > ST 27:2;O3;GlcA > - > - > 53248694 > - > Sterol Lipids [ST] > Secosteroids [ST03] > Vitamin D3 and derivatives [ST0302] > - > 9606 > 18177842 $$$$