CHEBI:78281 - 2,7-dihydroxy-5-methyl-1-naphthoate

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ChEBI Name 2,7-dihydroxy-5-methyl-1-naphthoate ChEBI ID CHEBI:78281 Definition A member of the class of naphthoates that is 1-naphthoate substituted at positions 2 and 7 by hydroxy groups and at position 5 by a methyl group; 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 C12H9O4 Net Charge -1 Average Mass 217.19800 Monoisotopic Mass 217.05063 InChI InChI=1S/C12H10O4/c1-6-4-7(13)5-9-8(6)2-3-10(14)11(9)12(15)16/h2-5,13-14H,1H3,(H,15,16)/p-1 InChIKey BLBGRTHACSTGEL-UHFFFAOYSA-M SMILES Cc1cc(O)cc2c(C([O-])=O)c(O)ccc12 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 2,7-dihydroxy-5-methyl-1-naphthoate (CHEBI:78281) has role bacterial metabolite (CHEBI:76969) 2,7-dihydroxy-5-methyl-1-naphthoate (CHEBI:78281) is a naphthoate (CHEBI:25482) 2,7-dihydroxy-5-methyl-1-naphthoate (CHEBI:78281) is conjugate base of 2,7-dihydroxy-5-methyl-1-naphthoic acid (CHEBI:79122) Incoming 2,7-dihydroxy-5-methyl-1-naphthoic acid (CHEBI:79122) is conjugate acid of 2,7-dihydroxy-5-methyl-1-naphthoate (CHEBI:78281) IUPAC Name 2,7-dihydroxy-5-methyl-1-naphthoate Synonym Source 2,7-dihydroxy-5-methyl-1-naphthoate UniProt Manual Xref Database CPD-16518 MetaCyc View more database links Citation Type Source 18387946 PubMed citation SUBMITTER Last Modified 10 July 2014