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CHEBI:169062 - Allyl butyrate

ChEBI IDCHEBI:169062
ChEBI NameAllyl butyrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H12O2
Net Charge0
Average Mass128.171
Monoisotopic Mass128.08373
SMILESC=CCOC(=O)CCC
InChIInChI=1S/C7H12O2/c1-3-5-7(8)9-6-4-2/h4H,2-3,5-6H2,1H3
InChIKeyRMZIOVJHUJAAEY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Allyl butyrate (CHEBI:169062) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
prop-2-enyl butanoate
Manual XrefsDatabases
15490ChemSpider
HMDB0040591HMDB
LMFA07010776LIPID MAPS
Registry NumbersSources
CAS:2051-78-7ChemIDplus