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CHEBI:72631 - 3-phenoxybenzoic acid

ChEBI IDCHEBI:72631
ChEBI Name3-phenoxybenzoic acid
Stars
DefinitionA phenoxybenzoic acid in which the phenoxy group is meta to the carboxy group. It is a metabolite of pyrethroid insecticides.
Last Modified10 November 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC13H10O3
Net Charge0
Average Mass214.220
Monoisotopic Mass214.06299
SMILESO=C(O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)
InChIKeyNXTDJHZGHOFSQG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
3-phenoxybenzoic acid (CHEBI:72631) has role human xenobiotic metabolite (CHEBI:76967)
3-phenoxybenzoic acid (CHEBI:72631) has role marine xenobiotic metabolite (CHEBI:83399)
3-phenoxybenzoic acid (CHEBI:72631) is a phenoxybenzoic acid (CHEBI:72633)
IUPAC Name 
3-phenoxybenzoic acid
Synonyms  Source
3-carboxydiphenyl etherChEBI
m-carboxydiphenyl etherChEBI
m-phenoxybenzoic acidChEBI
meta-phenoxybenzoic acidChEBI
3-PhOC6H4CO2HChEBI
3-PhOC6H4COOHChEBI
Manual XrefsDatabases
HMDB0041807HMDB
Registry NumbersSources
Reaxys:2105574Reaxys
CAS:3739-38-6ChemIDplus
Citations