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CHEBI:69403 - carbonarone A

ChEBI IDCHEBI:69403
ChEBI Namecarbonarone A
Stars
DefinitionA 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.
Secondary ChEBI IDCHEBI:64470
Last Modified21 October 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC13H11NO3
Net Charge0
Average Mass229.235
Monoisotopic Mass229.07389
SMILESNC(=O)c1coc(Cc2ccccc2)cc1=O
InChIInChI=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)
InChIKeyRQWMGMIZGOCPMP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger (ncbitaxon:5061) - PubMed (21854017)
Aspergillus carbonarius (ncbitaxon:40993) - PubMed (21854017)
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
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
Synonyms  Source
carbonarone AChEBI
tensidol AChEBI
Registry NumbersSources
Reaxys:19412735Reaxys
Citations