carbonarone A (CHEBI:69403)

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ChEBI Name	carbonarone A

ChEBI ID	CHEBI:69403

Definition	A monocarboxylic acid amide that is 4H-pyran-3-carboxamide substituted by an oxo group at position 4 and a benzyl group at position 6. It has been isolated from Aspergillus niger and Aspergillus carbonarius.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:64470

Supplier Information

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Formula

C13H11NO3

Net Charge

Average Mass

229.232

Monoisotopic Mass

229.07389

InChI

InChI=1S/C13H11NO3/c14-13(16)11-8-17-10(7-12(11)15)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,14,16)

InChIKey

RQWMGMIZGOCPMP-UHFFFAOYSA-N

SMILES

O1C=C(C(C=C1CC2=CC=CC=C2)=O)C(=O)N

Metabolite of Species	Details
Aspergillus carbonarius (NCBI:txid40993)	See: PubMed
Aspergillus niger (NCBI:txid5061)	See: PubMed

Roles Classification
Biological Role(s):	Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	carbonarone A (CHEBI:69403) has role Aspergillus metabolite (CHEBI:76956) carbonarone A (CHEBI:69403) has role antineoplastic agent (CHEBI:35610) carbonarone A (CHEBI:69403) is a 4-pyranones (CHEBI:131906) carbonarone A (CHEBI:69403) is a monocarboxylic acid amide (CHEBI:29347)

IUPAC Name

6-benzyl-4-oxo-4H-pyran-3-carboxamide

Registry Number	Type	Source
19412735	Reaxys Registry Number	Reaxys

Last Modified

21 October 2016