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CHEBI:69541 - 5,7,2'-trihydroxy-6-methoxyflavone

ChEBI IDCHEBI:69541
ChEBI Name5,7,2'-trihydroxy-6-methoxyflavone
Stars
DefinitionA trihydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 7 and 2' and a methoxy group at position 6. It has been isolated from the roots of Rubia yunnanensis.
Last Modified9 January 2014
DownloadsMolfile
FormulaC16H12O6
Net Charge0
Average Mass300.266
Monoisotopic Mass300.06339
SMILESCOc1c(O)cc2oc(-c3ccccc3O)cc(=O)c2c1O
InChIInChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-4-2-3-5-9(8)17/h2-7,17,19-20H,1H3
InChIKeyVHNWVABJHPRFGC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rubia yunnanensis (IPNI:765385-1) root (BTO:0001188) PubMed (21973054) Methanolic extract of air dried powdered roots.
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)
5,7,2'-trihydroxy-6-methoxyflavone (CHEBI:69541) has functional parent flavone (CHEBI:42491)
5,7,2'-trihydroxy-6-methoxyflavone (CHEBI:69541) has role plant metabolite (CHEBI:76924)
5,7,2'-trihydroxy-6-methoxyflavone (CHEBI:69541) is a monomethoxyflavone (CHEBI:25401)
5,7,2'-trihydroxy-6-methoxyflavone (CHEBI:69541) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name 
5,7-dihydroxy-2-(2-hydroxyphenyl)-6-methoxy-4H-chromen-4-one
Registry NumbersSources
Reaxys:5447706Reaxys
Citations