CHEBI:230842 - 2-PROPYL-3-HYDROXYETHYLENEPYRAN-4-ONE

ChEBI IDCHEBI:230842
ChEBI Name2-PROPYL-3-HYDROXYETHYLENEPYRAN-4-ONE
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H12O3
Net Charge0
Average Mass180.203
Monoisotopic Mass180.07864
SMILESCCCc1occc(=O)c1/C=C/O
InChIInChI=1S/C10H12O3/c1-2-3-10-8(4-6-11)9(12)5-7-13-10/h4-7,11H,2-3H2,1H3/b6-4+
InChIKeyDNXWUWRYEBKICC-GQCTYLIASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
2-PROPYL-3-HYDROXYETHYLENEPYRAN-4-ONE (CHEBI:230842) is a pyranone (CHEBI:37963)
IUPAC Name 
3-[(E)-2-hydroxyethenyl]-2-propylpyran-4-one
Manual XrefsDatabases
21111713ChemSpider