CHEBI:222284 - 12-epi-hapalindole C isonitrile

ChEBI IDCHEBI:222284
ChEBI Name12-epi-hapalindole C isonitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24N2
Net Charge0
Average Mass304.437
Monoisotopic Mass304.19395
SMILES[C-]#[N+][C@@H]1[C@H](c2cnc3ccccc23)[C@@H](C(=C)C)CC[C@@]1(C)C=C
InChIInChI=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-/m1/s1
InChIKeyKGWATBYKCMCFLC-CGRMTHRGSA-N
Species of MetaboliteComponentSourceComments
Hapalosiphon welwitschii (ncbitaxon:162986) - DOI (10.1021/jo00226a009)
ChEBI Ontology
Outgoing Relation(s)
12-epi-hapalindole C isonitrile (CHEBI:222284) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
3-[(1S,2R,3S,6S)-3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-ylcyclohexyl]-1H-indole
Manual XrefsDatabases
10290566ChemSpider
OAUPDBeChem