Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 22:47:59 UTC
Update Date2022-08-31 06:23:26 UTC
Metabolite IDMMDBc0005067
Metabolite Identification
Common NamePenienone
DescriptionPenienone belongs to the class of organic compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. Based on a literature review very few articles have been published on Penienone.
Structure
SynonymsNot Available
Molecular FormulaC14H20O2
Average Mass220.312
Monoisotopic Mass220.146329884
IUPAC Name(5S,6R)-5-[(1E,3E)-hepta-1,3-dien-1-yl]-6-(hydroxymethyl)cyclohex-2-en-1-one
Traditional Name(5S,6R)-5-[(1E,3E)-hepta-1,3-dien-1-yl]-6-(hydroxymethyl)cyclohex-2-en-1-one
CAS Registry NumberNot Available
SMILES
[H]\C(CCC)=C(\[H])/C(/[H])=C(\[H])[C@]1([H])CC=CC(=O)[C@@]1([H])CO
InChI Identifier
InChI=1S/C14H20O2/c1-2-3-4-5-6-8-12-9-7-10-14(16)13(12)11-15/h4-8,10,12-13,15H,2-3,9,11H2,1H3/b5-4+,8-6+/t12-,13+/m1/s1
InChI KeyUBYAOVYCJUQGIG-FILRKKLKSA-N