CHEBI:82681 - 3-methoxy-5-methyl-1-naphthoic acid

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ChEBI Name 3-methoxy-5-methyl-1-naphthoic acid ChEBI ID CHEBI:82681 Definition A naphthoic acid that is 1-naphthoic acid carrying additional methoxy and methyl substituents at positions 3 and 5 respectively. Stars This entity has been manually annotated by the ChEBI Team. 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 C13H12O3 Net Charge 0 Average Mass 216.23260 Monoisotopic Mass 216.07864 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) InChIKey LBYWDHUJYQYMJV-UHFFFAOYSA-N SMILES COc1cc(C(O)=O)c2cccc(C)c2c1 Metabolite of Species Details Streptomyces griseofuscus (NCBI:txid146922) See: PubMed Streptomyces sahachiroi (NCBI:txid285525) See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) 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-naphthoic acid (CHEBI:82681) has role bacterial metabolite (CHEBI:76969) 3-methoxy-5-methyl-1-naphthoic acid (CHEBI:82681) is a aromatic ether (CHEBI:35618) 3-methoxy-5-methyl-1-naphthoic acid (CHEBI:82681) is a naphthoic acid (CHEBI:25483) 3-methoxy-5-methyl-1-naphthoic acid (CHEBI:82681) is conjugate acid of 3-methoxy-5-methyl-1-naphthoate (CHEBI:78620) Incoming 3-methoxy-5-methyl-1-naphthoate (CHEBI:78620) is conjugate base of 3-methoxy-5-methyl-1-naphthoic acid (CHEBI:82681) IUPAC Name 3-methoxy-5-methyl-1-naphthoic acid Manual Xref Database CPD-16516 MetaCyc View more database links Registry Number Type Source 2805486 Reaxys Registry Number Reaxys Citation Type Source 20485749 PubMed citation Europe PMC Last Modified 12 August 2014