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CHEBI:220080 - 12-epi-hapalindole E

ChEBI IDCHEBI:220080
ChEBI Name12-epi-hapalindole E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H23ClN2
Net Charge0
Average Mass338.882
Monoisotopic Mass338.15498
SMILES[C-]#[N+][C@@H]1[C@H](c2cnc3ccccc23)[C@@H](C(=C)C)C[C@@H](Cl)[C@@]1(C)C=C
InChIInChI=1S/C21H23ClN2/c1-6-21(4)18(22)11-15(13(2)3)19(20(21)23-5)16-12-24-17-10-8-7-9-14(16)17/h6-10,12,15,18-20,24H,1-2,11H2,3-4H3/t15-,18-,19+,20-,21-/m1/s1
InChIKeyIJEJDCXOVNHHAX-CMWLGVBASA-N
Species of MetaboliteComponentSourceComments
Hapalosiphon welwitschii (ncbitaxon:162986) - DOI (10.1021/jo00226a009)
ChEBI Ontology
Outgoing Relation(s)
12-epi-hapalindole E (CHEBI:220080) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
3-[(1S,2R,3S,4R,6S)-4-chloro-3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-ylcyclohexyl]-1H-indole
Manual XrefsDatabases
78440666ChemSpider