CHEBI:80374 - malonylglycitin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name malonylglycitin
ChEBI ID CHEBI:80374
Definition A glycosyloxyisoflavone that is glycitin substituted by a malonyl group at position 6''.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C25H24O13
Net Charge 0
Average Mass 532.45030
Monoisotopic Mass 532.12169
InChI InChI=1S/C25H24O13/c1-34-16-6-13-15(35-9-14(21(13)30)11-2-4-12(26)5-3-11)7-17(16)37-25-24(33)23(32)22(31)18(38-25)10-36-20(29)8-19(27)28/h2-7,9,18,22-26,31-33H,8,10H2,1H3,(H,27,28)/t18-,22-,23+,24-,25-/m1/s1
InChIKey OWMHCYFEIJPHFB-GOZZSVHWSA-N
SMILES COc1cc2c(cc1O[C@@H]1O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]1O)occ(-c1ccc(O)cc1)c2=O
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 malonylglycitin (CHEBI:80374) has functional parent glycitin (CHEBI:80373)
malonylglycitin (CHEBI:80374) has role plant metabolite (CHEBI:76924)
malonylglycitin (CHEBI:80374) is a glycosyloxyisoflavone (CHEBI:74630)
malonylglycitin (CHEBI:80374) is a hydroxyisoflavone (CHEBI:38755)
malonylglycitin (CHEBI:80374) is a malonate ester (CHEBI:38083)
malonylglycitin (CHEBI:80374) is a methoxyisoflavone (CHEBI:38756)
malonylglycitin (CHEBI:80374) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name
3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-7-yl 6-O-(carboxyacetyl)-β-D-glucopyranoside
Synonym Source
6''-O-malonylglycitin HMDB
Manual Xrefs Databases
C16197 KEGG COMPOUND
HMDB0039323 HMDB
View more database links
Registry Numbers Types Sources
137705-39-6 CAS Registry Number ChemIDplus
4896907 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
25053043 PubMed citation Europe PMC
25916398 PubMed citation Europe PMC
Last Modified
24 June 2015