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CHEBI:191459 - Alpha-Methylphenethyl butyrate

ChEBI IDCHEBI:191459
ChEBI NameAlpha-Methylphenethyl butyrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H18O2
Net Charge0
Average Mass206.285
Monoisotopic Mass206.13068
SMILESCCCC(=O)OC(C)Cc1ccccc1
InChIInChI=1S/C13H18O2/c1-3-7-13(14)15-11(2)10-12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3
InChIKeyANJRGSHRMWLHFZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Solanum tuberosum (ncbitaxon:4113) leaf (BTO:0000713) MetaboLights (MTBLS4365)
ChEBI Ontology
Outgoing Relation(s)
Alpha-Methylphenethyl butyrate (CHEBI:191459) is a alkylbenzene (CHEBI:38976)
IUPAC Name 
1-phenylpropan-2-yl butanoate
Manual XrefsDatabases
HMDB0036391HMDB
14630605ChemSpider
Registry NumbersSources
CAS:68922-11-2ChemIDplus