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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone(1−)
ChEBI ID CHEBI:77769
ChEBI ASCII Name 3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone(1-)
Definition A 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.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C17H13O8
Net Charge -1
Average Mass 345.28090
Monoisotopic Mass 345.06159
InChI InChI=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
InChIKey WGWGXVOAFMLMJZ-UHFFFAOYSA-M
SMILES COc1cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c2c([O-])c1O
ChEBI Ontology
Outgoing 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 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
Synonym Source
3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone UniProt
Last Modified
19 June 2014
Submitter Remark
2014-03-19 08:28:05.0 Anne Morgat Conjugate of CHEBI:27767