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CHEBI:201331 - Penienone

ChEBI IDCHEBI:201331
ChEBI NamePenienone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O2
Net Charge0
Average Mass220.312
Monoisotopic Mass220.14633
SMILESCCC/C=C/C=C/[C@@H]1CC=CC(=O)[C@H]1CO
InChIInChI=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
InChIKeyUBYAOVYCJUQGIG-FILRKKLKSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/s0040-4039(96)02327-1)
ChEBI Ontology
Outgoing Relation(s)
Penienone (CHEBI:201331) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(5S,6R)-5-[(1E,3E)-hepta-1,3-dienyl]-6-(hydroxymethyl)cyclohex-2-en-1-one
Manual XrefsDatabases
8974275ChemSpider