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CHEBI:171797 - 1-Ethylhexyl tiglate

ChEBI IDCHEBI:171797
ChEBI Name1-Ethylhexyl tiglate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H24O2
Net Charge0
Average Mass212.333
Monoisotopic Mass212.17763
SMILESC/C=C(\C)C(=O)OC(CC)CCCCC
InChIInChI=1S/C13H24O2/c1-5-8-9-10-12(7-3)15-13(14)11(4)6-2/h6,12H,5,7-10H2,1-4H3/b11-6+
InChIKeyLMBAQNNBRWRROG-IZZDOVSWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
1-Ethylhexyl tiglate (CHEBI:171797) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
octan-3-yl (E)-2-methylbut-2-enoate
Manual XrefsDatabases
4778402ChemSpider
Registry NumbersSources
CAS:94133-92-3ChemIDplus