Penicipene B (CHEBI:210554)

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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 B

ChEBI ID	CHEBI:210554

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H20O4

Net Charge

Average Mass

228.288

Monoisotopic Mass

228.13616

InChI

InChI=1S/C12H20O4/c1-9(2)6-5-7-12(4,8-11(14)15)16-10(3)13/h6H,5,7-8H2,1-4H3,(H,14,15)/t12-/m0/s1

InChIKey

XDQAADVUQAXNNI-LBPRGKRZSA-N

SMILES

O=C(O)C[C@@](OC(=O)C)(CCC=C(C)C)C

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

ChEBI Ontology
Outgoing	Penicipene B (CHEBI:210554) is a monoterpenoid (CHEBI:25409)

IUPAC Name

(3S)-3-acetyloxy-3,7-dimethyloct-6-enoic acid