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CHEBI:80369 - 7-hydroxy-2',4',5'-trimethoxyisoflavone

ChEBI IDCHEBI:80369
ChEBI Name7-hydroxy-2',4',5'-trimethoxyisoflavone
Stars
DefinitionA hydroxyisoflavone that is isoflavone substituted by a hydroxy group at position 7 and methoxy groups at the 2', 4' and 5' positions.
Last Modified17 November 2016
DownloadsMolfile
FormulaC18H16O6
Net Charge0
Average Mass328.320
Monoisotopic Mass328.09469
SMILESCOc1cc(OC)c(-c2coc3cc(O)ccc3c2=O)cc1OC
InChIInChI=1S/C18H16O6/c1-21-14-8-17(23-3)16(22-2)7-12(14)13-9-24-15-6-10(19)4-5-11(15)18(13)20/h4-9,19H,1-3H3
InChIKeyIXZYJZHCXHSCDY-UHFFFAOYSA-N
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)
7-hydroxy-2',4',5'-trimethoxyisoflavone (CHEBI:80369) has functional parent isoflavone (CHEBI:18220)
7-hydroxy-2',4',5'-trimethoxyisoflavone (CHEBI:80369) has role plant metabolite (CHEBI:76924)
7-hydroxy-2',4',5'-trimethoxyisoflavone (CHEBI:80369) is a 4'-methoxyisoflavones (CHEBI:133959)
7-hydroxy-2',4',5'-trimethoxyisoflavone (CHEBI:80369) is a hydroxyisoflavone (CHEBI:38755)
IUPAC Name 
7-hydroxy-3-(2,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one
Manual XrefsDatabases
C00009413KNApSAcK
C16188KEGG COMPOUND