EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:194064 - quercetin 3',4'-dimethyl ether(2−)

Default Structure
ChEBI IDCHEBI:194064
ChEBI Namequercetin 3',4'-dimethyl ether(2−)
Stars
ASCII Namequercetin 3',4'-dimethyl ether(2-)
DefinitionMajor species at pH 7.3
Secondary ChEBI IDCHEBI:192776
Last Modified27 March 2023
SubmitterAnne Morgat, Kristian Axelsen
DownloadsMolfile
FormulaC17H12O7
Net Charge-2
Average Mass328.276
Monoisotopic Mass328.05940
SMILESCOc1ccc(-c2oc3cc([O-])cc(O)c3c(=O)c2[O-])cc1OC
InChIInChI=1S/C17H14O7/c1-22-11-4-3-8(5-12(11)23-2)17-16(21)15(20)14-10(19)6-9(18)7-13(14)24-17/h3-7,18-19,21H,1-2H3/p-2
InChIKeyMHALJYZRPGYQSI-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
quercetin 3',4'-dimethyl ether(2−) (CHEBI:194064) is a flavonoid oxoanion (CHEBI:60038)
quercetin 3',4'-dimethyl ether(2−) (CHEBI:194064) is conjugate base of 3',4'-Di-O-methylquercetin (CHEBI:174458)
Incoming Relation(s)
3',4'-Di-O-methylquercetin (CHEBI:174458) is conjugate acid of quercetin 3',4'-dimethyl ether(2−) (CHEBI:194064)
Synonym  Source
3',4'-O-dimethylquercetin 3,7-diolateChEBI
UniProt Name  Source
3',4'-O-dimethylquercetinUniProt
Citations