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CHEBI:7775 - ononin

ChEBI IDCHEBI:7775
ChEBI Nameononin
Stars
DefinitionA 4'-methoxyisoflavone that is formononetin attached to a β-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.
Last Modified3 March 2018
DownloadsMolfile
FormulaC22H22O9
Net Charge0
Average Mass430.409
Monoisotopic Mass430.12638
SMILESCOc1ccc(-c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3c2=O)cc1
InChIInChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1
InChIKeyMGJLSBDCWOSMHL-MIUGBVLSSA-N
Wikipedia
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)
ononin (CHEBI:7775) has functional parent formononetin (CHEBI:18088)
ononin (CHEBI:7775) has role plant metabolite (CHEBI:76924)
ononin (CHEBI:7775) is a 4'-methoxyisoflavones (CHEBI:133959)
ononin (CHEBI:7775) is a 7-hydroxyisoflavones 7-O-β-D-glucoside (CHEBI:140301)
ononin (CHEBI:7775) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name 
3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside
Synonyms  Source
OnoninKEGG COMPOUND
Formononetin glucosideChemIDplus
formononetin 7-O-β-D-glucopyranosideChEBI
4'-methoxyisoflavone-7-O-β-D-glucopyranosideHMDB
Formononetin 7-O-glucosideKEGG COMPOUND
UniProt Name  Source
ononinUniProt
Manual XrefsDatabases
C10509KEGG COMPOUND
ONONINMetaCyc
LMPK12050014LIPID MAPS
OnoninWikipedia
HMDB0033987HMDB
C00002553KNApSAcK
Registry NumbersSources
Reaxys:63067Reaxys
CAS:486-62-4KEGG COMPOUND
CAS:486-62-4ChemIDplus
Citations