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CHEBI:176332 - 2-hexenyl isovalerate

ChEBI IDCHEBI:176332
ChEBI Name2-hexenyl isovalerate
Stars
DefinitionA fatty ester resulting from the formal condensation of the carboxy group of isovaleric acid with the hydroxy group of 2-hexen-1-ol.
Last Modified3 June 2021
SubmitterAdnan
DownloadsMolfile
FormulaC11H20O2
Net Charge0
Average Mass184.279
Monoisotopic Mass184.14633
SMILES[H]C(CCC)=C([H])COC(=O)CC(C)C
InChIInChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeySAVRWHQEMHIAEB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mentha x piperita (ncbitaxon:34256) - PubMed (30067803)
Roles Classification
Biological Role:
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
ChEBI Ontology
Outgoing Relation(s)
2-hexenyl isovalerate (CHEBI:176332) has functional parent 2-hexen-1-ol (CHEBI:144070)
2-hexenyl isovalerate (CHEBI:176332) has functional parent isovaleric acid (CHEBI:28484)
2-hexenyl isovalerate (CHEBI:176332) has role volatile oil component (CHEBI:27311)
2-hexenyl isovalerate (CHEBI:176332) is a fatty acid ester (CHEBI:35748)
Incoming Relation(s)
(2E)-2-hexenyl isovalerate (CHEBI:172052) is a 2-hexenyl isovalerate (CHEBI:176332)
IUPAC Name 
hex-2-en-1-yl 3-methylbutanoate
Synonyms  Source
2-hexenyl 3-methylbutanoateChEBI
hex-2-enyl 3-methylbutyrateChEBI
hex-2-en-1-yl isovalerateChEBI
hex-2-enyl isovalerateChEBI
2-hexenyl 3-methylbutyrateChEBI
hex-2-en-1-yl 3-methylbutanoateChEBI
Citations