CHEBI:181487 - 12-Epi-hapalindole C isoniltrile

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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 12-Epi-hapalindole C isoniltrile
ChEBI ID CHEBI:181487
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H24N2
Net Charge 0
Average Mass 304.437
Monoisotopic Mass 304.19395
InChI InChI=1S/C21H24N2/c1-6-21(4)12-11-15(14(2)3)19(20(21)22-5)17-13-23-18-10-8-7-9-16(17)18/h6-10,13,15,19-20,23H,1-2,11-12H2,3-4H3/t15-,19+,20-,21-/m0/s1
InChIKey KGWATBYKCMCFLC-ZFCZOSEKSA-N
SMILES [N+]([C@@H]1[C@@](CC[C@H]([C@@]1(C=2C=3C(NC2)=CC=CC3)[H])C(C)=C)(C)C=C)#[C-]
ChEBI Ontology
Outgoing 12-Epi-hapalindole C isoniltrile (CHEBI:181487) is a monoterpenoid (CHEBI:25409)
IUPAC Name
3-[(1R,2S,3R,6R)-3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-ylcyclohexyl]-1H-indole
Manual Xref Database
34502052 ChemSpider
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