**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

R-7-Hydroxy Warfarin Glucuronate

Properties Image MNX_ID MNXM1581968 reference vmhM:R_7oh_warf_glc vmhM:R_7oh_warf_glc formula C25H22O11 global charge -2 mol weight 498.44 InChIKey HGQPQZDYDCOEEI-WPPUZRSRSA-L InChI InChI=1S/C25H24O11/c1-11(26)9-15(12-5-3-2-4-6-12)17-18(27)14-8-7-13(10-16(14)35-24(17)33)34-25-21(30)19(28)20(29)22(36-25)23(31)32/h2-8,10,15,19-22,25,27-30H,9H2,1H3,(H,31,32)/p-2/t15-,19+,20+,21-,22+,25-/m1/s1 SMILES CC(=O)C[C@H](c1ccccc1)c1c([O-])c2ccc(O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)cc2oc1=O MNX internals InChI (mnx) InChI=1/C25H24O11/c1-11(26)9-15(12-5-3-2-4-6-12)17-18(27)14-8-7-13(10-16(14)35-24(17)33)34-25-21(30)19(28)20(29)22(36-25)23(31)32/h2-8,10,15,19-22,25,27-30H,9H2,1H3,(H,31,32)/t15-,19+,20+,21-,22+,25-/m1/s1 SMILES (mnx) [CH3:1][C:11]([CH2:9][C@H:15]([c:12]1[cH:5][cH:3][cH:2][cH:4][cH:6]1)[c:17]1[c:18]([OH:27])[c:14]2[cH:8][cH:7][c:13]([O:34][C@H:25]3[C@H:21]([OH:30])[C@@H:19]([OH:28])[C@H:20]([OH:29])[C@@H:22]([C:23]([OH:31])=[O:32])[O:36]3)[cH:10][c:16]2[o:35][c:24]1=[O:33])=[O:26]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
vmhM:R_7oh_warf_glc vmhM:R_7oh_warf_glc vmhmetabolite:R_7oh_warf_glc vmhmetabolite:R_7oh_warf_glc HGQPQZDYDCOEEI-WPPUZRSRSA-L	R-7-Hydroxy Warfarin Glucuronate
vmhM:M_R_7oh_warf_glc	secondary/obsolete/fantasy identifier