EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:135364 - oxetorone

ChEBI IDCHEBI:135364
ChEBI Nameoxetorone
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC21H21NO2
Net Charge0
Average Mass319.404
Monoisotopic Mass319.15723
SMILESCN(C)CCC=C1c2ccccc2OCc2c1oc1ccccc21
InChIInChI=1S/C21H21NO2/c1-22(2)13-7-10-17-15-8-3-5-11-19(15)23-14-18-16-9-4-6-12-20(16)24-21(17)18/h3-6,8-12H,7,13-14H2,1-2H3
InChIKeyVZVRZTZPHOHSCK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
oxetorone (CHEBI:135364) is a oxacycle (CHEBI:38104)
Synonym  Source
oxetorone fumarateDrugCentral
Manual XrefsDatabases
2019DrugCentral
Registry NumbersSources
CAS:26020-55-3DrugCentral