Penicillenol B2 (CHEBI:217038)

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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	Penicillenol B2

ChEBI ID	CHEBI:217038

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H25NO3

Net Charge

Average Mass

279.380

Monoisotopic Mass

279.18344

InChI

InChI=1S/C16H25NO3/c1-5-7-8-9-10-11(3)14(18)13-15(19)12(6-2)17(4)16(13)20/h6,11,19H,5,7-10H2,1-4H3/b12-6+/t11-/m0/s1

InChIKey

FRKQEEBAWRDYCO-DREKTBMASA-N

SMILES

O=C1N(/C(=C/C)/C(=C1C(=O)[C@H](CCCCCC)C)O)C

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

ChEBI Ontology
Outgoing	Penicillenol B2 (CHEBI:217038) is a pyrroline (CHEBI:23763)

IUPAC Name

(5E)-5-ethylidene-4-hydroxy-1-methyl-3-(2-methyloctanoyl)pyrrol-2-one