|
![]() |
InChIKey | VRCBYTZZZFFKEN-RBZNUJCTSA-L |
InChI | InChI=1S/C25H24O13/c1-34-12-4-2-11(3-5-12)14-9-35-16-7-13(6-15(26)20(16)21(14)30)37-25-24(33)23(32)22(31)17(38-25)10-36-19(29)8-18(27)28/h2-7,9,17,22-26,31-33H,8,10H2,1H3,(H,27,28)/p-2/t17-,22-,23+,24-,25-/m1/s1 |
SMILES | COc1ccc(cc1)-c1coc2cc(O[C@@H]3O[C@H](COC(=O)CC([O-])=O)[C@@H](O)[C@H](O)[C@H]3O)cc([O-])c2c1=O |
#reac | |
---|---|
Distinct reactions in my sandbox | 0 |
Distinct generic reactions in MNXref | 3 |
Distinct compatimentalized reactions in models | 0 |
Identifier | Description |
---|---|
chebi:77876 | biochanin A 7-O-beta-D-glucoside 6''-O-malonate 3-(4-methoxyphenyl)-5-oxido-4-oxo-4H-chromen-7-yl 6-O-(carboxylatoacetyl)-beta-D-glucopyranoside biochanin A 7-O-beta-D-glucoside 6''-O-malonate(2-) |
seedM:cpd09256 | Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside) Biochanin A 7-O-beta-D-glucoside 6''-O-malonate biochanin A 7-O-(6-O-malonyl-beta-D-glucoside) biochanin A-7-O-glucoside-6''-malonate |
chebi:28556 | biochanin A 7-O-(6-O-malonyl-beta-D-glucoside) 5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside) Biochanin A 7-O-beta-D-glucoside 6''-O-malonate |
chebi:58577 | biochanin A 7-O-beta-D-glucoside 6''-O-malonate 5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(carboxylatoacetyl)-beta-D-glucopyranoside |
keggC:C12625 | Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside) Biochanin A 7-O-beta-D-glucoside 6''-O-malonate |
chebi:20677 chebi:2152 chebi:31287 keggC:M_C12625 seedM:M_cpd09256 | secondary/obsolete/fantasy identifier |
metacycM:CPD-4564 | biochanin A-7-O-glucoside-6''-malonate Biochanin A 7-O-beta-D-glucoside 6''-O-malonate biochanin A 7-O-(6-O-malonyl-beta-D-glucoside) |