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

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ChEBI Name 3-methoxy-5-methyl-1-naphthoate ChEBI ID CHEBI:78620 Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen 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 C13H11O3 Net Charge -1 Average Mass 215.22520 Monoisotopic Mass 215.07137 InChI InChI=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 InChIKey LBYWDHUJYQYMJV-UHFFFAOYSA-M SMILES COc1cc(C([O-])=O)c2cccc(C)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 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 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 Synonym Source 3-methoxy-5-methyl-1-naphthoate UniProt Manual Xref Database CPD-16516 MetaCyc View more database links Citation Type Source 20485749 PubMed citation SUBMITTER Last Modified 12 August 2014