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

1,1'-biphenyl-4-acetic acid glucuronide

Properties Image MNX_ID MNXM1592366 reference vmhM:11biph4acetag vmhM:11biph4acetag formula C21H21O8 global charge -1 mol weight 401.391 InChIKey WACAUKFFHLGVKE-ZFORQUDYSA-M InChI InChI=1S/C21H22O8/c22-15(28-21-18(25)16(23)17(24)19(29-21)20(26)27)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-7,9-10,16-19,21,23-25H,8,11H2,(H,26,27)/p-1/t16-,17-,18+,19-,21+/m0/s1 SMILES O=C(CCc1ccc(-c2ccccc2)cc1)O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C21H22O8/c22-15(28-21-18(25)16(23)17(24)19(29-21)20(26)27)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-7,9-10,16-19,21,23-25H,8,11H2,(H,26,27)/t16-,17-,18+,19-,21+/m0/s1 SMILES (mnx) [cH:1]1[cH:2][cH:4][c:13](-[c:14]2[cH:9][cH:6][c:12]([CH2:8][CH2:11][C:15](=[O:22])[O:28][C@H:21]3[C@H:18]([OH:25])[C@@H:16]([OH:23])[C@H:17]([OH:24])[C@@H:19]([C:20]([OH:26])=[O:27])[O:29]3)[cH:7][cH:10]2)[cH:5][cH:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
vmhM:11biph4acetag vmhM:11biph4acetag vmhmetabolite:11biph4acetag vmhmetabolite:11biph4acetag WACAUKFFHLGVKE-ZFORQUDYSA-M	1,1'-biphenyl-4-acetic acid glucuronide
vmhM:M_11biph4acetag	secondary/obsolete/fantasy identifier