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CHEBI:205518 - 12-epi-fischerindole W nitrile

ChEBI IDCHEBI:205518
ChEBI Name12-epi-fischerindole W nitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H19ClN2
Net Charge0
Average Mass334.850
Monoisotopic Mass334.12368
SMILESC=C[C@]1(C)[C@H](Cl)Cc2cc(C)c3nc4ccccc4c3c2[C@@H]1C#N
InChIInChI=1S/C21H19ClN2/c1-4-21(3)15(11-23)18-13(10-17(21)22)9-12(2)20-19(18)14-7-5-6-8-16(14)24-20/h4-9,15,17,24H,1,10H2,2-3H3/t15-,17+,21-/m0/s1
InChIKeyIJADLSDSEAXAAQ-XPIZARPCSA-N
Species of MetaboliteComponentSourceComments
Fischerellaspecies (ncbitaxon:1191) - PubMed (22470225)
ChEBI Ontology
Outgoing Relation(s)
12-epi-fischerindole W nitrile (CHEBI:205518) is a carbazoles (CHEBI:48513)
IUPAC Name 
(1S,2S,3R)-3-chloro-2-ethenyl-2,6-dimethyl-1,3,4,7-tetrahydrobenzo[c]carbazole-1-carbonitrile
Manual XrefsDatabases
35003355ChemSpider