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CHEBI:80372 - malonylgenistin

ChEBI IDCHEBI:80372
ChEBI Namemalonylgenistin
Stars
DefinitionA glycosyloxyisoflavone that is genistin in which the hydroxy hydrogen at position 6'' has been replaced by a malonyl group.
Secondary ChEBI IDCHEBI:133338
Last Modified26 September 2016
Submittermwilliams
DownloadsMolfile
FormulaC24H22O13
Net Charge0
Average Mass518.427
Monoisotopic Mass518.10604
SMILESO=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=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
InChIKeyFRAUJUKWSKMNJY-RSEYPYQYSA-N
Species of MetaboliteComponentSourceComments
Glycine max (ncbitaxon:3847) - PubMed (25070365)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
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 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)
malonylgenistin (CHEBI:80372) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-(carboxyacetyl)-β-D-glucopyranoside
Synonyms  Source
6''-MalonylgenistinHMDB
genistin malonateChEBI
genistein 7-O-β-D-glucoside 6''-O-malonateChEBI
Manual XrefsDatabases
C16192KEGG COMPOUND
HMDB0029529HMDB
LMPK12050173LIPID MAPS
Registry NumbersSources
Reaxys:4896665Reaxys
Citations