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

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ChEBI Name 2-hydroxy-7-methoxy-5-methyl-1-naphthoate ChEBI ID CHEBI:78282 Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter KAX Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C13H11O4 Net Charge -1 Average Mass 231.22460 Monoisotopic Mass 231.06628 InChI InChI=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 InChIKey LYGUXQMPYLCEGL-UHFFFAOYSA-M SMILES COc1cc(C)c2ccc(O)c(C([O-])=O)c2c1 Roles Classification Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Synonym Source 2-hydroxy-7-methoxy-5-methyl-1-naphthoate UniProt Manual Xref Database CPD-16519 MetaCyc View more database links Citation Type Source 18387946 PubMed citation SUBMITTER Last Modified 10 July 2014