CHEBI:215270 - Deschloro 12-epi-fischerindole I nitrile

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Deschloro 12-epi-fischerindole I nitrile
ChEBI ID CHEBI:215270
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H22N2
Net Charge 0
Average Mass 302.421
Monoisotopic Mass 302.17830
InChI InChI=1S/C21H22N2/c1-5-21(4)11-10-14-18(15(21)12-22)17-13-8-6-7-9-16(13)23-19(17)20(14,2)3/h5-9,14,23H,1,10-11H2,2-4H3/t14-,21+/m0/s1
InChIKey KTONQTZUWGFNIE-LHSJRXKWSA-N
SMILES N#CC1=C2C=3C4=C(C=CC=C4)NC3C([C@H]2CC[C@]1(C=C)C)(C)C
Metabolite of Species Details
Fischerellaspecies (NCBI:txid1191) See: PubMed
ChEBI Ontology
Outgoing Deschloro 12-epi-fischerindole I nitrile (CHEBI:215270) is a indoles (CHEBI:24828)
IUPAC Name
(6aS,9S)-9-ethenyl-6,6,9-trimethyl-5,6a,7,8-tetrahydroindeno[2,1-b]indole-10-carbonitrile
Manual Xref Database
75565299 ChemSpider
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