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CHEBI:77769 - 3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone(1−)

Default Structure
ChEBI IDCHEBI:77769
ChEBI Name3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone(1−)
Stars
ASCII Name3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone(1-)
DefinitionA flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of 3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified19 June 2014
SubmitterAnne Morgat
DownloadsMolfile
FormulaC17H13O8
Net Charge-1
Average Mass345.283
Monoisotopic Mass345.06159
SMILESCOc1cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c2c([O-])c1O
InChIInChI=1S/C17H14O8/c1-23-11-6-10-12(14(21)13(11)20)15(22)17(24-2)16(25-10)7-3-4-8(18)9(19)5-7/h3-6,18-21H,1-2H3/p-1
InChIKeyWGWGXVOAFMLMJZ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone(1−) (CHEBI:77769) is a flavonoid oxoanion (CHEBI:60038)
3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone(1−) (CHEBI:77769) is conjugate base of 3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone (CHEBI:27767)
Incoming Relation(s)
3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone (CHEBI:27767) is conjugate acid of 3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone(1−) (CHEBI:77769)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-6-hydroxy-3,7-dimethoxy-4-oxo-4H-chromen-5-olate
UniProt Name  Source
3',4',5,6-tetrahydroxy-3,7-dimethoxyflavoneUniProt