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CHEBI:78282 - 2-hydroxy-7-methoxy-5-methyl-1-naphthoate

ChEBI IDCHEBI:78282
ChEBI Name2-hydroxy-7-methoxy-5-methyl-1-naphthoate
Stars
DefinitionA member of the class of naphthoates that is 1-naphthoate substituted at positions 2, 5 and 7 by hydroxy, methyl and methoxy groups respectively; major species at pH 7.3.
Last Modified10 July 2014
SubmitterKAX
DownloadsMolfile
FormulaC13H11O4
Net Charge-1
Average Mass231.227
Monoisotopic Mass231.06628
SMILESCOc1cc(C)c2ccc(O)c(C(=O)[O-])c2c1
InChIInChI=1S/C13H12O4/c1-7-5-8(17-2)6-10-9(7)3-4-11(14)12(10)13(15)16/h3-6,14H,1-2H3,(H,15,16)/p-1
InChIKeyLYGUXQMPYLCEGL-UHFFFAOYSA-M
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
2-hydroxy-7-methoxy-5-methyl-1-naphthoate (CHEBI:78282) has role bacterial metabolite (CHEBI:76969)
2-hydroxy-7-methoxy-5-methyl-1-naphthoate (CHEBI:78282) is a naphthoate (CHEBI:25482)
IUPAC Name 
2-hydroxy-7-methoxy-5-methyl-1-naphthoate
UniProt Name  Source
2-hydroxy-7-methoxy-5-methyl-1-naphthoateUniProt
Manual XrefsDatabases
CPD-16519MetaCyc
Citations