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CHEBI:28556 - biochanin A 7-O-(6-O-malonyl-β-D-glucoside)
| Formula | C25H24O13 |
| Net Charge | 0 |
| Average Mass | 532.454 |
| Monoisotopic Mass | 532.12169 |
| SMILES | COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)cc1 |
| 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)/t17-,22-,23+,24-,25-/m1/s1 |
| InChIKey | VRCBYTZZZFFKEN-RBZNUJCTSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| biochanin A 7-O-(6-O-malonyl-β-D-glucoside) (CHEBI:28556) has functional parent biochanin A (CHEBI:17574) |
| biochanin A 7-O-(6-O-malonyl-β-D-glucoside) (CHEBI:28556) is a 4'-methoxyisoflavones (CHEBI:133959) |
| biochanin A 7-O-(6-O-malonyl-β-D-glucoside) (CHEBI:28556) is a glycosyloxyisoflavone (CHEBI:74630) |
| biochanin A 7-O-(6-O-malonyl-β-D-glucoside) (CHEBI:28556) is a β-D-glucoside (CHEBI:22798) |
| biochanin A 7-O-(6-O-malonyl-β-D-glucoside) (CHEBI:28556) is conjugate acid of biochanin A 7-O-β-D-glucoside 6''-O-malonate (CHEBI:58577) |
| Incoming Relation(s) |
| biochanin A 7-O-β-D-glucoside 6''-O-malonate (CHEBI:58577) is conjugate base of biochanin A 7-O-(6-O-malonyl-β-D-glucoside) (CHEBI:28556) |
| IUPAC Name |
|---|
| 5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(carboxyacetyl)-β-D-glucopyranoside |
| Synonyms | Source |
|---|---|
| biochanin A 7-O-(6-O-malonyl-β-D-glucoside) | IUBMB |
| Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside) | KEGG COMPOUND |
| Biochanin A 7-O-beta-D-glucoside 6''-O-malonate | KEGG COMPOUND |