biochanin A 7-glucuronide

Properties Image MNX_ID MNXM810257 reference chebi:189737 formula C22H20O11 global charge 0 mol weight 460.391 InChIKey KXYGEGYBMOCKNJ-SXFAUFNYSA-N InChI InChI=1S/C22H20O11/c1-30-10-4-2-9(3-5-10)12-8-31-14-7-11(6-13(23)15(14)16(12)24)32-22-19(27)17(25)18(26)20(33-22)21(28)29/h2-8,17-20,22-23,25-27H,1H3,(H,28,29)/t17-,18-,19+,20-,22+/m0/s1 SMILES COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=C3C2=O)C=C1 MNX internals InChI (mnx) InChI=1/C22H20O11/c1-30-10-4-2-9(3-5-10)12-8-31-14-7-11(6-13(23)15(14)16(12)24)32-22-19(27)17(25)18(26)20(33-22)21(28)29/h2-8,17-20,22-23,25-27H,1H3,(H,28,29)/t17-,18-,19+,20-,22+/m0/s1 SMILES (mnx) [CH3:1][O:30][C:10]1=[CH:5][CH:3]=[C:9]([C:12]2=[CH:8][O:31][C:14]3=[CH:7][C:11]([O:32][C@H:22]4[C@H:19]([OH:27])[C@@H:17]([OH:25])[C@H:18]([OH:26])[C@@H:20]([C:21](=[O:28])[OH:29])[O:33]4)=[CH:6][C:13]([OH:23])=[C:15]3[C:16]2=[O:24])[CH:2]=[CH:4]1

Parent-child relations graph

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