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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Ethyl 2-ethyl-3-phenylpropanoate
ChEBI ID CHEBI:186640
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C13H18O2
Net Charge 0
Average Mass 206.285
Monoisotopic Mass 206.13068
InChI InChI=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
InChIKey QDCUBAFTOOPBFR-UHFFFAOYSA-N
SMILES O(C(=O)C(CC1=CC=CC=C1)CC)CC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Ethyl 2-ethyl-3-phenylpropanoate (CHEBI:186640) is a fatty acid ester (CHEBI:35748)
IUPAC Name
ethyl 2-benzylbutanoate
Manual Xrefs Databases
56249 ChemSpider
HMDB0037194 HMDB
LMFA07010853 LIPID MAPS
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Registry Number Type Source
2983-36-0 CAS Registry Number ChemIDplus