Penicillar E (CHEBI:220316)

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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	Penicillar E

ChEBI ID	CHEBI:220316

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H18O3

Net Charge

Average Mass

198.262

Monoisotopic Mass

198.12559

InChI

InChI=1S/C11H18O3/c1-3-5-6-9-10(12)11(13,7-4-2)8-14-9/h3,5-6,9-10,12-13H,1,4,7-8H2,2H3/b6-5+/t9-,10-,11-/m1/s1

InChIKey

LGVYGWVIDSBECZ-QDTFPYKTSA-N

SMILES

O1[C@H](/C=C/C=C)[C@@H](O)[C@@](C1)(O)CCC

Metabolite of Species	Details
Penicilliumspecies SCS-KFD08 (NCBI:txid1808020)	See: PubMed

ChEBI Ontology
Outgoing	Penicillar E (CHEBI:220316) is a oxolanes (CHEBI:26912)

IUPAC Name

(2R,3R,4R)-2-[(1E)-buta-1,3-dienyl]-4-propyloxolane-3,4-diol