trans-Resveratrol 3-O-glucuronide

Properties Image MNX_ID MNXM144976 reference chebi:175990 formula C20H20O9 global charge 0 mol weight 404.371 InChIKey QWSAYEBSTMCFKY-OTPOQTMVSA-N InChI InChI=1S/C20H20O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+/t15-,16-,17+,18-,20+/m0/s1 SMILES O=C(O)[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C20H20O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+/t15-,16-,17+,18-,20+/m0/s1 SMILES (mnx) [CH:1](=[CH:2]/[C:11]1=[CH:7][C:13]([OH:22])=[CH:9][C:14]([O:28][C@H:20]2[C@H:17]([OH:25])[C@@H:15]([OH:23])[C@H:16]([OH:24])[C@@H:18]([C:19](=[O:26])[OH:27])[O:29]2)=[CH:8]1)\[C:10]1=[CH:4][CH:6]=[C:12]([OH:21])[CH:5]=[CH:3]1

Parent-child relations graph

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