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CHEBI:60020 - 3',4',5'-O-trimethyltricetin(1−)

ChEBI IDCHEBI:60020
ChEBI Name3',4',5'-O-trimethyltricetin(1−)
Stars
ASCII Name3',4',5'-O-trimethyltricetin(1-)
DefinitionThe conjugate base of 3',4',5'-O-trimethyltricetin arising from selective deprotonation of the 7-OH position; major species at pH 7.3.
Last Modified31 January 2013
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC18H15O7
Net Charge-1
Average Mass343.311
Monoisotopic Mass343.08233
SMILESCOc1cc(-c2cc(=O)c3c(O)cc([O-])cc3o2)cc(OC)c1OC
InChIInChI=1S/C18H16O7/c1-22-15-4-9(5-16(23-2)18(15)24-3)13-8-12(21)17-11(20)6-10(19)7-14(17)25-13/h4-8,19-20H,1-3H3/p-1
InChIKeyCPCPHNWWTJLXKQ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
3',4',5'-O-trimethyltricetin(1−) (CHEBI:60020) is a flavonoid oxoanion (CHEBI:60038)
3',4',5'-O-trimethyltricetin(1−) (CHEBI:60020) is conjugate base of 3',4',5'-O-trimethyltricetin (CHEBI:543745)
Incoming Relation(s)
3',4',5'-O-trimethyltricetin (CHEBI:543745) is conjugate acid of 3',4',5'-O-trimethyltricetin(1−) (CHEBI:60020)
IUPAC Name 
5-hydroxy-4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-chromen-7-olate
UniProt Name  Source
3',4',5'-O-trimethyltricetinUniProt
Manual XrefsDatabases
CPD-12573MetaCyc