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Substrate Report for: Methylbenzoate

Name Class
MethylbenzoateTypeAryl ester
Benzoate
Other_Name (5)
Chemical_Nomenclaturemethyl benzoate
FormulaC8H8O2
CAS_number93-58-3
MW136.15
PaperMartinez-Martinez_2018_ACS.Chem.Biol_13_225
Negre_2003_Plant.Cell_15_2992
Haase-Aschoff_2013_Process.Biochem_48_1872
CommentMethyl benzoate is found in all spice and present in various flower oils, banana, cherry, pimento berry, ceriman (Monstera deliciosa), clove bud and stem, mustard, coffee, black tea, dill, starfruit and cherimoya (Annona cherimola). Methyl benzoate is used in flavourings. It is one of many compounds that is attractive to males of various species of orchid bees, who apparently gather the chemical to synthesize pheromones; it is commonly used as bait to attract and collect these bees for study
Gene_locusaurst-EJD51015
CID7150
Family6_AlphaBeta_hydrolase
InChIKeyQPJVMBTYPHYUOC-UHFFFAOYSA-N
CanonicalSMILESCOC(=O)C1=CC=CC=C1
InChIInChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3

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Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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