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CHEBI:186640 - Ethyl 2-ethyl-3-phenylpropanoate

ChEBI IDCHEBI:186640
ChEBI NameEthyl 2-ethyl-3-phenylpropanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H18O2
Net Charge0
Average Mass206.285
Monoisotopic Mass206.13068
SMILESCCOC(=O)C(CC)Cc1ccccc1
InChIInChI=1S/C13H18O2/c1-3-12(13(14)15-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
InChIKeyQDCUBAFTOOPBFR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Ethyl 2-ethyl-3-phenylpropanoate (CHEBI:186640) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
ethyl 2-benzylbutanoate
Manual XrefsDatabases
56249ChemSpider
HMDB0037194HMDB
LMFA07010853LIPID MAPS
Registry NumbersSources
CAS:2983-36-0ChemIDplus