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CHEBI:189401 - (1R,9R)-5-Cyclohexyl-11-(propylsulfonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ChEBI IDCHEBI:189401
ChEBI Name(1R,9R)-5-Cyclohexyl-11-(propylsulfonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30N2O3S
Net Charge0
Average Mass378.538
Monoisotopic Mass378.19771
SMILES[H][C@@]12CN(S(=O)(=O)CCC)C[C@@]([H])(C1)c1ccc(C3CCCCC3)c(=O)n1C2
InChIInChI=1S/C20H30N2O3S/c1-2-10-26(24,25)21-12-15-11-17(14-21)19-9-8-18(20(23)22(19)13-15)16-6-4-3-5-7-16/h8-9,15-17H,2-7,10-14H2,1H3/t15-,17+/m0/s1
InChIKeyQWUTUNXLHRHEEY-DOTOQJQBSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(1R,9R)-5-Cyclohexyl-11-(propylsulfonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CHEBI:189401) is a alkaloid (CHEBI:22315)
IUPAC Name 
(1R,9R)-5-cyclohexyl-11-propylsulonyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Manual XrefsDatabases
7706530ChemSpider