CHEBI:77770 - 3',5-dihydroxy-3,4',7-trimethoxyflavone(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3',5-dihydroxy-3,4',7-trimethoxyflavone(1−)
ChEBI ID CHEBI:77770
ChEBI ASCII Name 3',5-dihydroxy-3,4',7-trimethoxyflavone(1-)
Definition A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of 3',5-dihydroxy-3,4',7-trimethoxyflavone. 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 C18H15O7
Net Charge -1
Average Mass 343.30800
Monoisotopic Mass 343.08233
InChI InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-13(23-2)11(19)6-9/h4-8,19-20H,1-3H3/p-1
InChIKey KPCRYSMUMBNTCK-UHFFFAOYSA-M
SMILES COc1cc([O-])c2c(c1)oc(-c1ccc(OC)c(O)c1)c(OC)c2=O
ChEBI Ontology
Outgoing 3',5-dihydroxy-3,4',7-trimethoxyflavone(1−) (CHEBI:77770) is a flavonoid oxoanion (CHEBI:60038)
3',5-dihydroxy-3,4',7-trimethoxyflavone(1−) (CHEBI:77770) is conjugate base of 3',5-dihydroxy-3,4',7-trimethoxyflavone (CHEBI:27825)
Incoming 3',5-dihydroxy-3,4',7-trimethoxyflavone (CHEBI:27825) is conjugate acid of 3',5-dihydroxy-3,4',7-trimethoxyflavone(1−) (CHEBI:77770)
IUPAC Name
2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-4-oxo-4H-chromen-5-olate
Synonym Source
3',5-dihydroxy-3,4',7-trimethoxyflavone UniProt
Last Modified
10 June 2014
Submitter Remark
2014-03-19 08:33:19.0 Anne Morgat Conjugate of CHEBI:27825