Quercetin 3'-O-glucuronide

Properties Image MNX_ID MNXM130142 reference hmdb:HMDB0041769 formula C21H18O13 global charge 0 mol weight 478.362 InChIKey LBJLXDMWOKJIPQ-JENRNSKYSA-N InChI InChI=1S/C21H18O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-8(23)10(3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(H,30,31)/t14-,16-,17+,19-,21+/m0/s1 SMILES O=C1C(O)=C(C2=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)=C2)OC2=C1C(O)=CC(O)=C2 MNX internals InChI (mnx) InChI=1/C21H18O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-8(23)10(3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(H,30,31)/t14-,16-,17+,19-,21+/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][C:8]([OH:23])=[C:10]([O:33][C@H:21]2[C@H:17]([OH:29])[C@@H:14]([OH:26])[C@H:16]([OH:28])[C@@H:19]([C:20](=[O:30])[OH:31])[O:34]2)[CH:3]=[C:6]1[C:18]1=[C:15]([OH:27])[C:13](=[O:25])[C:12]2=[C:9]([OH:24])[CH:4]=[C:7]([OH:22])[CH:5]=[C:11]2[O:32]1

Parent-child relations graph

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