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CHEBI:78620 - 3-methoxy-5-methyl-1-naphthoate

ChEBI IDCHEBI:78620
ChEBI Name3-methoxy-5-methyl-1-naphthoate
Stars
DefinitionA naphthoate that is the conjugate base of 3-methoxy-5-methyl-1-naphthoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified12 August 2014
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC13H11O3
Net Charge-1
Average Mass215.228
Monoisotopic Mass215.07137
SMILESCOc1cc(C(=O)[O-])c2cccc(C)c2c1
InChIInChI=1S/C13H12O3/c1-8-4-3-5-10-11(8)6-9(16-2)7-12(10)13(14)15/h3-7H,1-2H3,(H,14,15)/p-1
InChIKeyLBYWDHUJYQYMJV-UHFFFAOYSA-M
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
3-methoxy-5-methyl-1-naphthoate (CHEBI:78620) has role bacterial metabolite (CHEBI:76969)
3-methoxy-5-methyl-1-naphthoate (CHEBI:78620) is a naphthoate (CHEBI:25482)
3-methoxy-5-methyl-1-naphthoate (CHEBI:78620) is conjugate base of 3-methoxy-5-methyl-1-naphthoic acid (CHEBI:82681)
Incoming Relation(s)
3-methoxy-5-methyl-1-naphthoic acid (CHEBI:82681) is conjugate acid of 3-methoxy-5-methyl-1-naphthoate (CHEBI:78620)
IUPAC Name 
3-methoxy-5-methyl-1-naphthoate
UniProt Name  Source
3-methoxy-5-methyl-1-naphthoateUniProt
Manual XrefsDatabases
CPD-16516MetaCyc
Citations