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CHEBI:177820 - (E)-Oxetorone

ChEBI IDCHEBI:177820
ChEBI Name(E)-Oxetorone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21NO2
Net Charge0
Average Mass319.404
Monoisotopic Mass319.15723
SMILESCN(C)CC/C=C1\c2ccccc2OCc2c1oc1ccccc21
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/b17-10+
InChIKeyVZVRZTZPHOHSCK-LICLKQGHSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
(E)-Oxetorone (CHEBI:177820) is a oxacycle (CHEBI:38104)
IUPAC Name 
(3E)-3-(12H-[1]benzouro[3,2-c][1]benzoxepin-6-ylidene)-N,N-dimethylpropan-1-amine
Manual XrefsDatabases
4939134ChemSpider
D08312KEGG DRUG