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CHEBI:72775 - methyl benzoate

ChEBI IDCHEBI:72775
ChEBI Namemethyl benzoate
Stars
DefinitionA benzoate ester obtained by condensation of benzoic acid and methanol.
Last Modified22 May 2016
SubmitterKAX
DownloadsMolfile
FormulaC8H8O2
Net Charge0
Average Mass136.150
Monoisotopic Mass136.05243
SMILESCOC(=O)c1ccccc1
InChIInChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyQPJVMBTYPHYUOC-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
insect attractant  A chemical that attracts insects.
ChEBI Ontology
Outgoing Relation(s)
methyl benzoate (CHEBI:72775) has role insect attractant (CHEBI:24850)
methyl benzoate (CHEBI:72775) has role metabolite (CHEBI:25212)
methyl benzoate (CHEBI:72775) is a benzoate ester (CHEBI:36054)
methyl benzoate (CHEBI:72775) is a methyl ester (CHEBI:25248)
IUPAC Name 
methyl benzoate
Synonyms  Source
Benzoic acid, methyl esterChemIDplus
Methyl benzenecarboxylateChemIDplus
UniProt Name  Source
methyl benzoateUniProt
Manual XrefsDatabases
CPD-6441MetaCyc
HMDB0033968HMDB
Methyl_benzoateWikipedia
Registry NumbersSources
Reaxys:1072099Reaxys
CAS:93-58-3ChemIDplus
CAS:93-58-3NIST Chemistry WebBook
Citations