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CHEBI:198079 - Deschloro 12-epi-fischerindole W nitrile

ChEBI IDCHEBI:198079
ChEBI NameDeschloro 12-epi-fischerindole W nitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20N2
Net Charge0
Average Mass300.405
Monoisotopic Mass300.16265
SMILESC=C[C@]1(C)CCc2cc(C)c3nc4ccccc4c3c2[C@@H]1C#N
InChIInChI=1S/C21H20N2/c1-4-21(3)10-9-14-11-13(2)20-19(18(14)16(21)12-22)15-7-5-6-8-17(15)23-20/h4-8,11,16,23H,1,9-10H2,2-3H3/t16-,21+/m0/s1
InChIKeyXJIAYNBCTIRYJS-HRAATJIYSA-N
Species of MetaboliteComponentSourceComments
Fischerellaspecies (ncbitaxon:1191) - PubMed (22470225)
ChEBI Ontology
Outgoing Relation(s)
Deschloro 12-epi-fischerindole W nitrile (CHEBI:198079) is a carbazoles (CHEBI:48513)
IUPAC Name 
(1R,2S)-2-ethenyl-2,6-dimethyl-1,3,4,7-tetrahydrobenzo[c]carbazole-1-carbonitrile
Manual XrefsDatabases
35003354ChemSpider