CHEBI:36107 - 2-naphthoate

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ChEBI Name 2-naphthoate ChEBI ID CHEBI:36107 Definition A naphthoate that is the conjugate base of 2-naphthoic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:19724, CHEBI:30902 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 C11H7O2 Net Charge -1 Average Mass 171.17208 Monoisotopic Mass 171.04515 InChI InChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)/p-1 InChIKey UOBYKYZJUGYBDK-UHFFFAOYSA-M SMILES [O-]C(=O)c1ccc2ccccc2c1 Roles Classification Biological Role(s): xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound. View more via ChEBI Ontology ChEBI Ontology Outgoing 2-naphthoate (CHEBI:36107) has role xenobiotic metabolite (CHEBI:76206) 2-naphthoate (CHEBI:36107) is a naphthoate (CHEBI:25482) 2-naphthoate (CHEBI:36107) is conjugate base of 2-naphthoic acid (CHEBI:36106) Incoming 1,4-dihydroxy-2-naphthoate (CHEBI:11173) has functional parent 2-naphthoate (CHEBI:36107) 1-hydroxy-2-naphthoate (CHEBI:15992) has functional parent 2-naphthoate (CHEBI:36107) 2-naphthoic acid (CHEBI:36106) is conjugate acid of 2-naphthoate (CHEBI:36107) IUPAC Name naphthalene-2-carboxylate Synonym Source 2-naphthoate(1−) ChEBI Registry Numbers Types Sources 329643 Gmelin Registry Number Gmelin 3905271 Beilstein Registry Number Beilstein 3905271 Reaxys Registry Number Reaxys Last Modified 01 September 2014