EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:84246 - 4-hydroxy-6-heptylpyran-2-one

ChEBI IDCHEBI:84246
ChEBI Name4-hydroxy-6-heptylpyran-2-one
Stars
DefinitionA 2-pyranone in which the hydrogens at positions 4 and 6 of 2H-pyran-2-one are replaced by hydroxy and heptyl groups respectively.
Last Modified13 March 2015
Submitternhn
DownloadsMolfile
FormulaC12H18O3
Net Charge0
Average Mass210.273
Monoisotopic Mass210.12559
SMILESCCCCCCCc1cc(O)cc(=O)o1
InChIInChI=1S/C12H18O3/c1-2-3-4-5-6-7-11-8-10(13)9-12(14)15-11/h8-9,13H,2-7H2,1H3
InChIKeyDYBQTVWGTMHKLN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-hydroxy-6-heptylpyran-2-one (CHEBI:84246) is a 2-pyranones (CHEBI:75885)
4-hydroxy-6-heptylpyran-2-one (CHEBI:84246) is a heteroaryl hydroxy compound (CHEBI:74818)
IUPAC Name 
6-heptyl-4-hydroxy-2H-pyran-2-one
Synonym  Source
octanoyl triketide pyroneSUBMITTER
UniProt Name  Source
4-hydroxy-6-heptylpyran-2-oneUniProt
Registry NumbersSources
Reaxys:160002Reaxys
Citations