CHEBI:80372 - malonylgenistin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name malonylgenistin
ChEBI ID CHEBI:80372
Definition A glycosyloxyisoflavone that is genistin in which the hydroxy hydrogen at position 6'' has been replaced by a malonyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:133338
Supplier Information
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Formula C24H22O13
Net Charge 0
Average Mass 518.42370
Monoisotopic Mass 518.10604
InChI InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)13-8-34-15-6-12(5-14(26)19(15)20(13)30)36-24-23(33)22(32)21(31)16(37-24)9-35-18(29)7-17(27)28/h1-6,8,16,21-26,31-33H,7,9H2,(H,27,28)/t16-,21-,22+,23-,24-/m1/s1
InChIKey FRAUJUKWSKMNJY-RSEYPYQYSA-N
SMILES O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2cc(O)c3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@H]1O
Metabolite of Species Details
Glycine max (NCBI:txid3847) 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 malonylgenistin (CHEBI:80372) has functional parent genistein 7-O-β-D-glucoside (CHEBI:27514)
malonylgenistin (CHEBI:80372) has role plant metabolite (CHEBI:76924)
malonylgenistin (CHEBI:80372) is a β-D-glucoside (CHEBI:22798)
malonylgenistin (CHEBI:80372) is a glycosyloxyisoflavone (CHEBI:74630)
malonylgenistin (CHEBI:80372) is a hydroxyisoflavone (CHEBI:38755)
malonylgenistin (CHEBI:80372) is a malonate ester (CHEBI:38083)
malonylgenistin (CHEBI:80372) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name
5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-(carboxyacetyl)-β-D-glucopyranoside
Synonyms Sources
6''-Malonylgenistin HMDB
genistein 7-O-β-D-glucoside 6''-O-malonate ChEBI
genistin malonate ChEBI
Manual Xrefs Databases
C16192 KEGG COMPOUND
HMDB0029529 HMDB
LMPK12050173 LIPID MAPS
View more database links
Registry Number Type Source
4896665 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
25070365 PubMed citation Europe PMC
25916398 PubMed citation Europe PMC
Last Modified
26 September 2016