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CHEBI:77710 - 3',4',5-trihydroxy-3,7-dimethoxyflavone(1−)

ChEBI IDCHEBI:77710
ChEBI Name3',4',5-trihydroxy-3,7-dimethoxyflavone(1−)
Stars
ASCII Name3',4',5-trihydroxy-3,7-dimethoxyflavone(1-)
DefinitionA flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of 3',4',5-trihydroxy-3,7-dimethoxyflavone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified21 October 2022
SubmitterAnne Morgat
DownloadsMolfile
FormulaC17H13O7
Net Charge-1
Average Mass329.284
Monoisotopic Mass329.06668
SMILESCOc1cc([O-])c2c(=O)c(OC)c(-c3ccc(O)c(O)c3)oc2c1
InChIInChI=1S/C17H14O7/c1-22-9-6-12(20)14-13(7-9)24-16(17(23-2)15(14)21)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3/p-1
InChIKeyLUJAXSNNYBCFEE-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
3',4',5-trihydroxy-3,7-dimethoxyflavone(1−) (CHEBI:77710) is a flavonoid oxoanion (CHEBI:60038)
3',4',5-trihydroxy-3,7-dimethoxyflavone(1−) (CHEBI:77710) is conjugate base of 3',4',5-trihydroxy-3,7-dimethoxyflavone (CHEBI:18010)
Incoming Relation(s)
3',4',5-trihydroxy-3,7-dimethoxyflavone (CHEBI:18010) is conjugate acid of 3',4',5-trihydroxy-3,7-dimethoxyflavone(1−) (CHEBI:77710)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-3,7-dimethoxy-4-oxo-4H-chromen-5-olate
UniProt Name  Source
3',4',5-trihydroxy-3,7-dimethoxyflavoneUniProt