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

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ChEBI Name 3-Carbomethoxy-6-benzyl-4-pyrone
ChEBI ID CHEBI:69405
Definition A natural product found in Aspeciesrgillus species.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C14H12O4
Net Charge 0
Average Mass 244.24270
Monoisotopic Mass 244.07356
InChI InChI=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
InChIKey QTNLPWNQLKXVJK-UHFFFAOYSA-N
SMILES COC(=O)c1coc(Cc2ccccc2)cc1=O
Metabolite of Species Details
Aspergillus sp. (NCBI:txid5065) See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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)
Citation Waiting for Citations Type Source
21854017 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:pyranone(CHEBI:37963); ISA:benzenes(CHEBI:22712); ISA:carboxylic ester(CHEBI:33308); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:cyclic ketone(CHEBI:3992); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:monocarboxylic acid(CHEBI:25384);