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CHEBI:64229 - 6-isopropenyl-3-methyloxepan-2-one

ChEBI IDCHEBI:64229
ChEBI Name6-isopropenyl-3-methyloxepan-2-one
Stars
DefinitionA terpene lactone that consists of oxepan-2-one bearing methyl and isopropenyl substituents at positions 3 and 6 respectively.
Last Modified23 March 2012
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC10H16O2
Net Charge0
Average Mass168.236
Monoisotopic Mass168.11503
SMILESC=C(C)C1CCC(C)C(=O)OC1
InChIInChI=1S/C10H16O2/c1-7(2)9-5-4-8(3)10(11)12-6-9/h8-9H,1,4-6H2,2-3H3
InChIKeyBBKYOZJVRPOMGL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
6-isopropenyl-3-methyloxepan-2-one (CHEBI:64229) is a monoterpenoid (CHEBI:25409)
6-isopropenyl-3-methyloxepan-2-one (CHEBI:64229) is a terpene lactone (CHEBI:37668)
6-isopropenyl-3-methyloxepan-2-one (CHEBI:64229) is a ε-lactone (CHEBI:50239)
Incoming Relation(s)
(3R,6S)-6-isopropenyl-3-methyloxepan-2-one (CHEBI:64230) is a 6-isopropenyl-3-methyloxepan-2-one (CHEBI:64229)
(3S,6R)-6-isopropenyl-3-methyloxepan-2-one (CHEBI:64232) is a 6-isopropenyl-3-methyloxepan-2-one (CHEBI:64229)
(3S,6S)-6-isopropenyl-3-methyloxepan-2-one (CHEBI:64231) is a 6-isopropenyl-3-methyloxepan-2-one (CHEBI:64229)
IUPAC Name 
3-methyl-6-(prop-1-en-2-yl)oxepan-2-one
Synonym  Source
3-methyl-6-isopropenyloxepan-2-oneChEBI
UniProt Name  Source
6-isopropenyl-3-methyloxepan-2-oneUniProt
Manual XrefsDatabases
6-isopropenyl-3-methyloxepan-2-oneMetaCyc