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CHEBI:64274 - 7-hydroxy-4-isopropenyl-7-methyloxepan-2-one

Default Structure
ChEBI IDCHEBI:64274
ChEBI Name7-hydroxy-4-isopropenyl-7-methyloxepan-2-one
Stars
DefinitionA terpene lactone that is oxepan-2-one bearing an isopropenyl substituent at position 4 as well as hydroxy and methyl substituents at position 7.
Last Modified5 September 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC10H16O3
Net Charge0
Average Mass184.235
Monoisotopic Mass184.10994
SMILESC=C(C)C1CCC(C)(O)OC(=O)C1
InChIInChI=1S/C10H16O3/c1-7(2)8-4-5-10(3,12)13-9(11)6-8/h8,12H,1,4-6H2,2-3H3
InChIKeyZZVPZXLETLTSEB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:64274) is a monoterpenoid (CHEBI:25409)
7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:64274) is a terpene lactone (CHEBI:37668)
7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:64274) is a ε-lactone (CHEBI:50239)
Incoming Relation(s)
(4R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:82204) is a 7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:64274)
(4S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:82207) is a 7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:64274)
IUPAC Name 
7-hydroxy-7-methyl-4-(prop-1-en-2-yl)oxepan-2-one
UniProt Name  Source
7-hydroxy-4-isopropenyl-7-methyloxepan-2-oneUniProt
Manual XrefsDatabases
3-Isopropenyl-4H-hexano-lactonesMetaCyc