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CHEBI:191497 - 3-Phenylpropyl isovalerate

ChEBI IDCHEBI:191497
ChEBI Name3-Phenylpropyl isovalerate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O2
Net Charge0
Average Mass220.312
Monoisotopic Mass220.14633
SMILESCC(C)CC(=O)OCCCc1ccccc1
InChIInChI=1S/C14H20O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3
InChIKeyLBNFCOMOXOWXCD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Solanum tuberosum (ncbitaxon:4113) leaf (BTO:0000713) MetaboLights (MTBLS4365)
ChEBI Ontology
Outgoing Relation(s)
3-Phenylpropyl isovalerate (CHEBI:191497) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
3-phenylpropyl 3-methylbutanoate
Manual XrefsDatabases
56340ChemSpider
HMDB0036389HMDB
Registry NumbersSources
CAS:03/07/5452ChemIDplus