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CHEBI:172044 - trans-2-Hexenyl 2-methylbutyrate

ChEBI IDCHEBI:172044
ChEBI Nametrans-2-Hexenyl 2-methylbutyrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H20O2
Net Charge0
Average Mass184.279
Monoisotopic Mass184.14633
SMILESCCC/C=C/COC(=O)C(C)CC
InChIInChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h7-8,10H,4-6,9H2,1-3H3/b8-7+
InChIKeySXJKRFLZGRFPBD-BQYQJAHWSA-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)
trans-2-Hexenyl 2-methylbutyrate (CHEBI:172044) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[(E)-hex-2-enyl] 2-methylbutanoate
Manual XrefsDatabases
4509339ChemSpider
HMDB0032534HMDB
LMFA07011028LIPID MAPS
Registry NumbersSources
CAS:94089-01-7ChemIDplus