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CHEBI:172051 - 6-Heptyl-5,6-dihydro-2H-pyran-2-one

ChEBI IDCHEBI:172051
ChEBI Name6-Heptyl-5,6-dihydro-2H-pyran-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O2
Net Charge0
Average Mass196.290
Monoisotopic Mass196.14633
SMILESCCCCCCCC1CC=CC(=O)O1
InChIInChI=1S/C12H20O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h7,10-11H,2-6,8-9H2,1H3
InChIKeyXPTXKXKPWKNYKB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
6-Heptyl-5,6-dihydro-2H-pyran-2-one (CHEBI:172051) is a pyranone (CHEBI:37963)
IUPAC Name 
2-heptyl-2,3-dihydropyran-6-one
Manual XrefsDatabases
55709ChemSpider
HMDB0031030HMDB
Registry NumbersSources
CAS:16400-72-9ChemIDplus