CHEBI:80389 - formononetin 7-O-glucoside-6''-O-malonate

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ChEBI Name formononetin 7-O-glucoside-6''-O-malonate
ChEBI ID CHEBI:80389
ChEBI ASCII Name formononetin 7-O-glucoside-6''-O-malonate
Definition A glycosyloxyisoflavone that is formononetin attached to a 6-O-(carboxyacetyl)-β-D-glucopyranosyl residue at position 7 via a glycosidic linkage.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H24O12
Net Charge 0
Average Mass 516.452
Monoisotopic Mass 516.12678
InChI InChI=1S/C25H24O12/c1-33-13-4-2-12(3-5-13)16-10-34-17-8-14(6-7-15(17)21(16)29)36-25-24(32)23(31)22(30)18(37-25)11-35-20(28)9-19(26)27/h2-8,10,18,22-25,30-32H,9,11H2,1H3,(H,26,27)/t18-,22-,23+,24-,25-/m1/s1
InChIKey RDTAGQKYPGLCBK-GOZZSVHWSA-N
SMILES C1(=CC=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)OC)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)COC(CC(O)=O)=O
Metabolite of Species Details
Medicago sativa (NCBI:txid3879) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing formononetin 7-O-glucoside-6''-O-malonate (CHEBI:80389) has functional parent formononetin (CHEBI:18088)
formononetin 7-O-glucoside-6''-O-malonate (CHEBI:80389) has role plant metabolite (CHEBI:76924)
formononetin 7-O-glucoside-6''-O-malonate (CHEBI:80389) is a 4'-methoxyisoflavones (CHEBI:133959)
formononetin 7-O-glucoside-6''-O-malonate (CHEBI:80389) is a glycosyloxyisoflavone (CHEBI:74630)
formononetin 7-O-glucoside-6''-O-malonate (CHEBI:80389) is a malonate ester (CHEBI:38083)
formononetin 7-O-glucoside-6''-O-malonate (CHEBI:80389) is a monosaccharide derivative (CHEBI:63367)
IUPAC Names
3-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-(carboxyacetyl)-β-D-glucopyranoside
7-hydroxy-4'-methoxyisoflavone 7-O-β-(6'-O-malonylglucoside)
Manual Xrefs Databases
C00010083 KNApSAcK
C16222 KEGG COMPOUND
HMDB0029493 HMDB
LMPK12050020 LIPID MAPS
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Registry Number Type Source
7156324 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
12232319 PubMed citation Europe PMC
Last Modified
17 November 2016