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CHEBI:84345 - methyl nogalonate(1−)

ChEBI IDCHEBI:84345
ChEBI Namemethyl nogalonate(1−)
Stars
ASCII Namemethyl nogalonate(1-)
DefinitionA phenolate anion resulting from the removal of a proton from the phenolic hydroxy group at position 5 of methyl nogalonate. The major species at pH 7.3.
Last Modified4 April 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H15O8
Net Charge-1
Average Mass395.343
Monoisotopic Mass395.07724
SMILESCOC(=O)Cc1cc2c(c(O)c1C(=O)CC(C)=O)C(=O)c1c([O-])cccc1C2=O
InChIInChI=1S/C21H16O8/c1-9(22)6-14(24)16-10(8-15(25)29-2)7-12-18(20(16)27)21(28)17-11(19(12)26)4-3-5-13(17)23/h3-5,7,23,27H,6,8H2,1-2H3/p-1
InChIKeyQBPKMZSXGLNWOB-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
methyl nogalonate(1−) (CHEBI:84345) is a phenolate anion (CHEBI:50525)
methyl nogalonate(1−) (CHEBI:84345) is conjugate base of methyl nogalonate (CHEBI:85142)
Incoming Relation(s)
methyl nogalonate (CHEBI:85142) is conjugate acid of methyl nogalonate(1−) (CHEBI:84345)
IUPAC Name 
7-acetoacetyl-8-hydroxy-6-(2-methoxy-2-oxoethyl)-9,10-dioxo-9,10-dihydroanthracen-1-olate
Synonym  Source
nogalonic acid methyl ester(1−)ChEBI
UniProt Name  Source
methyl nogalonateUniProt
Manual XrefsDatabases
CPD-15806MetaCyc
Citations