EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:186660 - Dumetorine

ChEBI IDCHEBI:186660
ChEBI NameDumetorine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H21NO2
Net Charge0
Average Mass223.316
Monoisotopic Mass223.15723
SMILESCC1=CC(=O)OC(CC2CCCCN2C)C1
InChIInChI=1S/C13H21NO2/c1-10-7-12(16-13(15)8-10)9-11-5-3-4-6-14(11)2/h8,11-12H,3-7,9H2,1-2H3
InChIKeyJFFVCKNYHMIHTF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Dumetorine (CHEBI:186660) is a pyranone (CHEBI:37963)
IUPAC Name 
4-methyl-2-[(1-methylpiperidin-2-yl)methyl]-2,3-dihydropyran-6-one
Manual XrefsDatabases
HMDB0030268HMDB
35013169ChemSpider