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

R-8-Hydroxywarfarin Glucuronate

Properties Image MNX_ID MNXM1581969 reference vmhM:R_8oh_warf_glc vmhM:R_8oh_warf_glc formula C25H22O11 global charge -2 mol weight 498.44 InChIKey CFVGBYFDDKYFMF-IHKZSJNMSA-L InChI InChI=1S/C25H24O11/c1-11(26)10-14(12-6-3-2-4-7-12)16-17(27)13-8-5-9-15(21(13)35-24(16)33)34-25-20(30)18(28)19(29)22(36-25)23(31)32/h2-9,14,18-20,22,25,27-30H,10H2,1H3,(H,31,32)/p-2/t14-,18+,19+,20-,22+,25-/m1/s1 SMILES CC(=O)C[C@H](c1ccccc1)c1c([O-])c2cccc(O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)c2oc1=O MNX internals InChI (mnx) InChI=1/C25H24O11/c1-11(26)10-14(12-6-3-2-4-7-12)16-17(27)13-8-5-9-15(21(13)35-24(16)33)34-25-20(30)18(28)19(29)22(36-25)23(31)32/h2-9,14,18-20,22,25,27-30H,10H2,1H3,(H,31,32)/t14-,18+,19+,20-,22+,25-/m1/s1 SMILES (mnx) [CH3:1][C:11]([CH2:10][C@H:14]([c:12]1[cH:6][cH:3][cH:2][cH:4][cH:7]1)[c:16]1[c:17]([OH:27])[c:13]2[cH:8][cH:5][cH:9][c:15]([O:34][C@H:25]3[C@H:20]([OH:30])[C@@H:18]([OH:28])[C@H:19]([OH:29])[C@@H:22]([C:23]([OH:31])=[O:32])[O:36]3)[c:21]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) 5 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
vmhM:R_8oh_warf_glc vmhM:R_8oh_warf_glc vmhmetabolite:R_8oh_warf_glc vmhmetabolite:R_8oh_warf_glc CFVGBYFDDKYFMF-IHKZSJNMSA-L	R-8-Hydroxywarfarin Glucuronate
vmhM:M_R_8oh_warf_glc	secondary/obsolete/fantasy identifier