CHEBI:72775 - methyl benzoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name methyl benzoate
Definition A benzoate ester obtained by condensation of benzoic acid and methanol.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C8H8O2
Net Charge 0
Average Mass 136.14790
Monoisotopic Mass 136.05243
InChI InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
SMILES COC(=O)c1ccccc1
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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)
methyl benzoate
Synonyms Sources
Benzoic acid, methyl ester ChemIDplus
Methyl benzenecarboxylate ChemIDplus
methyl benzoate UniProt
Manual Xrefs Databases
CPD-6441 MetaCyc
HMDB0033968 HMDB
Methyl_benzoate Wikipedia
View more database links
Registry Numbers Types Sources
1072099 Reaxys Registry Number Reaxys
93-58-3 CAS Registry Number NIST Chemistry WebBook
93-58-3 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
10852939 PubMed citation SUBMITTER
Last Modified
22 May 2016