Penicipene A (CHEBI:210548)

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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	Penicipene A

ChEBI ID	CHEBI:210548

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H18O4

Net Charge

Average Mass

226.272

Monoisotopic Mass

226.12051

InChI

InChI=1S/C12H18O4/c1-9(7-12(14)15)5-4-6-10(2)8-16-11(3)13/h6-7H,4-5,8H2,1-3H3,(H,14,15)/b9-7+,10-6+

InChIKey

HCUCMKNWPMMUAE-IDXDHNASSA-N

SMILES

O=C(O)/C=C(/CC/C=C(/COC(=O)C)\C)\C

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

ChEBI Ontology
Outgoing	Penicipene A (CHEBI:210548) is a monoterpenoid (CHEBI:25409)

IUPAC Name

(2E,6E)-8-acetyloxy-3,7-dimethylocta-2,6-dienoic acid