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CHEBI:228427 - 6-phenyl-1,2,3,4-tetrahydro-2,5-benzodiazocin-1-one

ChEBI IDCHEBI:228427
ChEBI Name6-phenyl-1,2,3,4-tetrahydro-2,5-benzodiazocin-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14N2O
Net Charge0
Average Mass250.301
Monoisotopic Mass250.11061
SMILESO=C1NCC/N=C(/c2ccccc2)c2ccccc21
InChIInChI=1S/C16H14N2O/c19-16-14-9-5-4-8-13(14)15(17-10-11-18-16)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,19)/b17-15-
InChIKeyVXJXJLGYASKSMK-ICFOKQHNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
6-phenyl-1,2,3,4-tetrahydro-2,5-benzodiazocin-1-one (CHEBI:228427) is a benzenes (CHEBI:22712)
IUPAC Name 
6-phenyl-3,4-dihydro-2H-2,5-benzodiazocin-1-one
Manual XrefsDatabases
26461924ChemSpider