formononetin 7-glucuronide

Properties Image MNX_ID MNXM1130011 reference chebi:189738 formula C22H20O10 global charge 0 mol weight 444.392 InChIKey KDULJPKZESDTFK-SXFAUFNYSA-N InChI InChI=1S/C22H20O10/c1-29-11-4-2-10(3-5-11)15-9-14(23)13-7-6-12(8-16(13)31-15)30-22-19(26)17(24)18(25)20(32-22)21(27)28/h2-9,17-20,22,24-26H,1H3,(H,27,28)/t17-,18-,19+,20-,22+/m0/s1 SMILES COC1=CC=C(C2=CC(=O)C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1 MNX internals InChI (mnx) InChI=1/C22H20O10/c1-29-11-4-2-10(3-5-11)15-9-14(23)13-7-6-12(8-16(13)31-15)30-22-19(26)17(24)18(25)20(32-22)21(27)28/h2-9,17-20,22,24-26H,1H3,(H,27,28)/t17-,18-,19+,20-,22+/m0/s1 SMILES (mnx) [CH3:1][O:29][C:11]1=[CH:5][CH:3]=[C:10]([C:15]2=[CH:9][C:14](=[O:23])[C:13]3=[C:16]([CH:8]=[C:12]([O:30][C@H:22]4[C@H:19]([OH:26])[C@@H:17]([OH:24])[C@H:18]([OH:25])[C@@H:20]([C:21](=[O:27])[OH:28])[O:32]4)[CH:6]=[CH:7]3)[O:31]2)[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