wogonin 7-O-beta-D-glucuronate

Properties Image MNX_ID MNXM4879 reference chebi:61285 formula C22H19O11 global charge -1 mol weight 459.383 InChIKey LNOHXHDWGCMVCO-NTKSAMNMSA-M InChI InChI=1S/C22H20O11/c1-30-18-13(32-22-17(27)15(25)16(26)20(33-22)21(28)29)8-11(24)14-10(23)7-12(31-19(14)18)9-5-3-2-4-6-9/h2-8,15-17,20,22,24-27H,1H3,(H,28,29)/p-1/t15-,16-,17+,20-,22+/m0/s1 SMILES COC1=C(O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)C=C(O)C2=C1OC(C1=CC=CC=C1)=CC2=O MNX internals InChI (mnx) InChI=1/C22H20O11/c1-30-18-13(32-22-17(27)15(25)16(26)20(33-22)21(28)29)8-11(24)14-10(23)7-12(31-19(14)18)9-5-3-2-4-6-9/h2-8,15-17,20,22,24-27H,1H3,(H,28,29)/t15-,16-,17+,20-,22+/m0/s1 SMILES (mnx) [CH3:1][O:30][C:18]1=[C:19]2[C:14](=[C:11]([OH:24])[CH:8]=[C:13]1[O:32][C@H:22]1[C@H:17]([OH:27])[C@@H:15]([OH:25])[C@H:16]([OH:26])[C@@H:20]([C:21](=[O:28])[OH:29])[O:33]1)[C:10](=[O:23])[CH:7]=[C:12]([C:9]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[O:31]2

Parent-child relations graph

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