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CHEBI:69405 - 3-Carbomethoxy-6-benzyl-4-pyrone

Default Structure
ChEBI IDCHEBI:69405
ChEBI Name3-Carbomethoxy-6-benzyl-4-pyrone
Stars
DefinitionA natural product found in Aspeciesrgillus species.
Last Modified22 September 2014
DownloadsMolfile
FormulaC14H12O4
Net Charge0
Average Mass244.246
Monoisotopic Mass244.07356
SMILESCOC(=O)c1coc(Cc2ccccc2)cc1=O
InChIInChI=1S/C14H12O4/c1-17-14(16)12-9-18-11(8-13(12)15)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3
InChIKeyQTNLPWNQLKXVJK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus sp. (ncbitaxon:5065) - PubMed (21854017)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3-Carbomethoxy-6-benzyl-4-pyrone (CHEBI:69405) has role metabolite (CHEBI:25212)
3-Carbomethoxy-6-benzyl-4-pyrone (CHEBI:69405) is a carbonyl compound (CHEBI:36586)
3-Carbomethoxy-6-benzyl-4-pyrone (CHEBI:69405) is a pyrans (CHEBI:26407)
Citations