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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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The Swiss Initiative in Systems Biology

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methyl benzoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM61842

Image of MNXM61842

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

formula

C₈H₈O₂

charge

0

mass

136.05243

reference

InChIKey

QPJVMBTYPHYUOC-UHFFFAOYSA-N

InChI

InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3

SMILES

COC(=O)c1ccccc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:72775 chebi:72775	methyl benzoate Benzoic acid, methyl ester Methyl benzenecarboxylate
kegg.compound:C20645 keggC:C20645	Methyl benzoate
hmdb:HMDB0033968	Methyl benzoate Benzoate, methyl ester Benzoic acid methyl ester Benzoic acid, methyl ester Clorius Methyl benzenecarboxylate Methyl benzenecarboxylic acid Methyl benzoic acid Methyl ester OF benzoic acid Methylbenzoate Niobe oil Oil OF niobe Oniobe oil methyl benzoate
metacyc.compound:CPD-6441 metacycM:CPD-6441	methyl benzoate benzoic acid methyl ester methyl benzenecarboxylate
seed.compound:cpd24635 seedM:cpd24635	methylbenzoate Methyl benzoate methyl benzoate
CHEBI:25280 chebi:25280	methylbenzoic acid methylbenzoic acids
hmdb:HMDB33968 keggC:M_C20645 seedM:M_cpd24635	secondary/obsolete/fantasy identifier