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CHEBI:210245 - 12-epi-fischerindole I nitrile

ChEBI IDCHEBI:210245
ChEBI Name12-epi-fischerindole I nitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21ClN2
Net Charge0
Average Mass336.866
Monoisotopic Mass336.13933
SMILESC=C[C@@]1(C)C(C#N)=C2c3c(nc4ccccc34)C(C)(C)[C@H]2C[C@H]1Cl
InChIInChI=1S/C21H21ClN2/c1-5-21(4)14(11-23)18-13(10-16(21)22)20(2,3)19-17(18)12-8-6-7-9-15(12)24-19/h5-9,13,16,24H,1,10H2,2-4H3/t13-,16+,21-/m0/s1
InChIKeyQBZITGWHJDUKFN-QSZISKGPSA-N
Species of MetaboliteComponentSourceComments
Fischerellaspecies (ncbitaxon:1191) - PubMed (22470225)
ChEBI Ontology
Outgoing Relation(s)
12-epi-fischerindole I nitrile (CHEBI:210245) is a indoles (CHEBI:24828)
IUPAC Name 
(6aS,8R,9S)-8-chloro-9-ethenyl-6,6,9-trimethyl-5,6a,7,8-tetrahydroindeno[2,1-b]indole-10-carbonitrile
Manual XrefsDatabases
28289716ChemSpider