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CHEBI:66959 - 4-hydroxy-6-(2-oxoheptyl)pyran-2-one

ChEBI IDCHEBI:66959
ChEBI Name4-hydroxy-6-(2-oxoheptyl)pyran-2-one
Stars
DefinitionA pyranone that is 2H-pyran-2-one in which the hydrogens at positions 4 and 6 are substituted by hydroxy and 2-oxoheptyl groups respectively.
Last Modified11 May 2016
SubmitterKAX
DownloadsMolfile
FormulaC12H16O4
Net Charge0
Average Mass224.256
Monoisotopic Mass224.10486
SMILESCCCCCC(=O)Cc1cc(O)cc(=O)o1
InChIInChI=1S/C12H16O4/c1-2-3-4-5-9(13)6-11-7-10(14)8-12(15)16-11/h7-8,14H,2-6H2,1H3
InChIKeyGHURLXDGHMZIGJ-UHFFFAOYSA-N
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)
4-hydroxy-6-(2-oxoheptyl)pyran-2-one (CHEBI:66959) has role metabolite (CHEBI:25212)
4-hydroxy-6-(2-oxoheptyl)pyran-2-one (CHEBI:66959) is a 2-pyranones (CHEBI:75885)
4-hydroxy-6-(2-oxoheptyl)pyran-2-one (CHEBI:66959) is a polyketide (CHEBI:26188)
IUPAC Name 
4-hydroxy-6-(2-oxoheptyl)-2H-pyran-2-one
Synonyms  Source
4-hydroxy-6-(2-oxoheptyl)-2-pyranoneChEBI
hexanoyltriacetic acid lactoneChEBI
HTALSUBMITTER
Registry NumbersSources
Reaxys:9915653Reaxys
Citations