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CHEBI:183444 - 5-Methyl-8-nitro-3-spirocyclohexyl-2,3,4,5-tetrahydro-1H-2-benzazepine

ChEBI IDCHEBI:183444
ChEBI Name5-Methyl-8-nitro-3-spirocyclohexyl-2,3,4,5-tetrahydro-1H-2-benzazepine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22N2O2
Net Charge0
Average Mass274.364
Monoisotopic Mass274.16813
SMILESCC1CC2(CCCCC2)NCc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C16H22N2O2/c1-12-10-16(7-3-2-4-8-16)17-11-13-9-14(18(19)20)5-6-15(12)13/h5-6,9,12,17H,2-4,7-8,10-11H2,1H3
InChIKeyNTQRKDJFPIIDQC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
5-Methyl-8-nitro-3-spirocyclohexyl-2,3,4,5-tetrahydro-1H-2-benzazepine (CHEBI:183444) is a benzazepine (CHEBI:35676)
IUPAC Name 
5-methyl-8-nitrospiro[1,2,4,5-tetrahydro-2-benzazepine-3,1'-cyclohexane]
Manual XrefsDatabases
2011736ChemSpider