Naproxen O-glucuronide

Properties Image MNX_ID MNXM158680 reference chebi:176007 formula C20H22O9 global charge 0 mol weight 406.387 InChIKey XRHIELLXTVJOKM-WDZACEAPSA-N InChI InChI=1S/C20H22O9/c1-9(10-3-4-12-8-13(27-2)6-5-11(12)7-10)19(26)29-20-16(23)14(21)15(22)17(28-20)18(24)25/h3-9,14-17,20-23H,1-2H3,(H,24,25)/t9-,14-,15-,16+,17-,20?/m0/s1 SMILES COC1=CC2=C(C=C1)C=C([C@H](C)C(=O)OC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C=C2 MNX internals InChI (mnx) InChI=1/C20H22O9/c1-9(10-3-4-12-8-13(27-2)6-5-11(12)7-10)19(26)29-20-16(23)14(21)15(22)17(28-20)18(24)25/h3-9,14-17,20-23H,1-2H3,(H,24,25)/t9-,14-,15-,16+,17-,20?/m0/s1 SMILES (mnx) [CH3:1][C@@H:9]([C:10]1=[CH:7][C:11]2=[CH:5][CH:6]=[C:13]([O:27][CH3:2])[CH:8]=[C:12]2[CH:4]=[CH:3]1)[C:19](=[O:26])[O:29][CH:20]1[C@H:16]([OH:23])[C@@H:14]([OH:21])[C@H:15]([OH:22])[C@@H:17]([C:18](=[O:24])[OH:25])[O:28]1

Parent-child relations graph

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