EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:134998 - pyrovalerone

ChEBI IDCHEBI:134998
ChEBI Namepyrovalerone
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC16H23NO
Net Charge0
Average Mass245.366
Monoisotopic Mass245.17796
SMILESCCCC(C(=O)c1ccc(C)cc1)N1CCCC1
InChIInChI=1S/C16H23NO/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3
InChIKeySWUVZKWCOBGPTH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
pyrovalerone (CHEBI:134998) is a aromatic ketone (CHEBI:76224)
Synonyms  Source
pyrovalerone hydrochlorideDrugCentral
pyrovalerone HClDrugCentral
Manual XrefsDatabases
3511DrugCentral
Registry NumbersSources
CAS:3563-49-3DrugCentral