Penicidone A (CHEBI:211367)

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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	Penicidone A

ChEBI ID	CHEBI:211367

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H17NO5

Net Charge

Average Mass

327.336

Monoisotopic Mass

327.11067

InChI

InChI=1S/C18H17NO5/c1-4-5-10-6-14(20)13(9-19-10)17-16-12(18(21)24-17)7-11(22-2)8-15(16)23-3/h4-9,17H,1-3H3,(H,19,20)/b5-4+/t17-/m0/s1

InChIKey

VHRYRCYSKWAFFV-BDUNBXCCSA-N

SMILES

O=C1C(=CNC(=C1)/C=C/C)[C@@H]2OC(=O)C=3C2=C(OC)C=C(OC)C3

Metabolite of Species	Details
Penicilliumspecies IFB-E022 (NCBI:txid419823)	See: PubMed

ChEBI Ontology
Outgoing	Penicidone A (CHEBI:211367) is a benzofurans (CHEBI:35259)

IUPAC Name

5-[(1R)-5,7-dimethoxy-3-oxo-1H-2-benzouran-1-yl]-2-[(E)-prop-1-enyl]-1H-pyridin-4-one