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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:72775 - methyl benzoate
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ChEBI Name
methyl benzoate
ChEBI ID
CHEBI:72775
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
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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
InChIKey
QPJVMBTYPHYUOC-UHFFFAOYSA-N
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
)
IUPAC Name
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
Type
Source
10852939
PubMed citation
SUBMITTER
Last Modified
22 May 2016