CHEBI:80371 - malonyldaidzin

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ChEBI Name malonyldaidzin
ChEBI ID CHEBI:80371
Definition A glycosyloxyisoflavone that is daidzein substituted by 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
Download Molfile XML SDF
Formula C24H22O12
Net Charge 0
Average Mass 502.42430
Monoisotopic Mass 502.11113
InChI InChI=1S/C24H22O12/c25-12-3-1-11(2-4-12)15-9-33-16-7-13(5-6-14(16)20(15)29)35-24-23(32)22(31)21(30)17(36-24)10-34-19(28)8-18(26)27/h1-7,9,17,21-25,30-32H,8,10H2,(H,26,27)/t17-,21-,22+,23-,24-/m1/s1
InChIKey MTXMHWSVSZKYBT-ASDZUOGYSA-N
SMILES O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2ccc3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@H]1O
Metabolite of Species Details
Glycine max (NCBI:txidtxid3847) 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 malonyldaidzin (CHEBI:80371) has functional parent daidzein 7-O-β-D-glucoside (CHEBI:42202)
malonyldaidzin (CHEBI:80371) has role plant metabolite (CHEBI:76924)
malonyldaidzin (CHEBI:80371) is a glycosyloxyisoflavone (CHEBI:74630)
malonyldaidzin (CHEBI:80371) is a hydroxyisoflavone (CHEBI:38755)
malonyldaidzin (CHEBI:80371) is a malonate ester (CHEBI:38083)
malonyldaidzin (CHEBI:80371) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name
3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-(carboxyacetyl)-β-D-glucopyranoside
Manual Xrefs Databases
C16191 KEGG COMPOUND
HMDB0041263 HMDB
View more database links
Registry Number Type Source
4895660 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
25053043 PubMed citation Europe PMC
25070365 PubMed citation Europe PMC
Last Modified
24 June 2015