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CHEBI:198444 - Hapalindole F

ChEBI IDCHEBI:198444
ChEBI NameHapalindole F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H23ClN2S
Net Charge0
Average Mass370.949
Monoisotopic Mass370.12705
SMILESC=C[C@]1(C)[C@@H](Cl)C[C@@H](C(=C)C)[C@H](c2cnc3ccccc23)[C@@H]1N=C=S
InChIInChI=1S/C21H23ClN2S/c1-5-21(4)18(22)10-15(13(2)3)19(20(21)24-12-25)16-11-23-17-9-7-6-8-14(16)17/h5-9,11,15,18-20,23H,1-2,10H2,3-4H3/t15-,18-,19+,20-,21+/m0/s1
InChIKeyGRQUFNAGGOBDNI-FARZLIQASA-N
Species of MetaboliteComponentSourceComments
Hapalosiphon (ncbitaxon:162985) - DOI (10.1021/jo00382a012)
ChEBI Ontology
Outgoing Relation(s)
Hapalindole F (CHEBI:198444) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
3-[(1R,2S,3S,4S,6R)-4-chloro-3-ethenyl-2-isothiocyanato-3-methyl-6-prop-1-en-2-ylcyclohexyl]-1H-indole
Manual XrefsDatabases
78442457ChemSpider