Penienone (CHEBI:201331)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Penienone

ChEBI ID	CHEBI:201331

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H20O2

Net Charge

Average Mass

220.312

Monoisotopic Mass

220.14633

InChI

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

InChIKey

UBYAOVYCJUQGIG-FILRKKLKSA-N

SMILES

O=C1C=CC[C@H]([C@@H]1CO)/C=C/C=C/CCC

Metabolite of Species	Details
Penicillium (NCBI:txid5073)	See: DOI

ChEBI Ontology
Outgoing	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