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CHEBI:70004 - 5,7,3',5'-tetrahydroxy-3,4'-dimethyoxyflavone

ChEBI IDCHEBI:70004
ChEBI Name5,7,3',5'-tetrahydroxy-3,4'-dimethyoxyflavone
Stars
DefinitionA tetrahydroxyflavone that is myricetin in which the hydroxy groups at positions 3 and 4' are replaced by methoxy groups. It has been isolated from Combretum quadrangulare.
Last Modified9 January 2014
DownloadsMolfile
FormulaC17H14O8
Net Charge0
Average Mass346.291
Monoisotopic Mass346.06887
SMILESCOc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc1O
InChIInChI=1S/C17H14O8/c1-23-16-10(20)3-7(4-11(16)21)15-17(24-2)14(22)13-9(19)5-8(18)6-12(13)25-15/h3-6,18-21H,1-2H3
InChIKeyMVJHAGLBHWPKLS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Combretum quadrangulare (IPNI:170410-1) leaf (BTO:0000713) PubMed (21265555) Methanolic extract of leaves
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)
5,7,3',5'-tetrahydroxy-3,4'-dimethyoxyflavone (CHEBI:70004) has functional parent myricetin (CHEBI:18152)
5,7,3',5'-tetrahydroxy-3,4'-dimethyoxyflavone (CHEBI:70004) has role plant metabolite (CHEBI:76924)
5,7,3',5'-tetrahydroxy-3,4'-dimethyoxyflavone (CHEBI:70004) is a dimethoxyflavone (CHEBI:23798)
5,7,3',5'-tetrahydroxy-3,4'-dimethyoxyflavone (CHEBI:70004) is a tetrahydroxyflavone (CHEBI:38684)
IUPAC Name 
2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-methoxy-4H-chromen-4-one
Synonyms  Source
myricetin 3,4'-dimethyl etherChEBI
3,4'-O-dimethylmyricetinChEBI
Registry NumbersSources
Reaxys:6745154Reaxys
Citations