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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3',4',5-trihydroxy-3,7-dimethoxyflavone(1−)
ChEBI ID CHEBI:77710
ChEBI ASCII Name 3',4',5-trihydroxy-3,7-dimethoxyflavone(1-)
Definition A 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.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C17H13O7
Net Charge -1
Average Mass 329.28150
Monoisotopic Mass 329.06668
InChI InChI=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
InChIKey LUJAXSNNYBCFEE-UHFFFAOYSA-M
SMILES COc1cc([O-])c2c(c1)oc(-c1ccc(O)c(O)c1)c(OC)c2=O
ChEBI Ontology
Outgoing 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 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
Synonym Source
3',4',5-trihydroxy-3,7-dimethoxyflavone UniProt
Last Modified
10 June 2014
Submitter Remark
2014-03-17 09:09:36.0 Anne Morgat Conjugate of CHEBI:18010