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CHEBI:211994 - Hapalindole B

ChEBI IDCHEBI:211994
ChEBI NameHapalindole B
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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]2[C@H](c3cnc4cccc(c34)C2(C)C)[C@H]1N=C=S
InChIInChI=1S/C21H23ClN2S/c1-5-21(4)16(22)9-14-18(19(21)24-11-25)12-10-23-15-8-6-7-13(17(12)15)20(14,2)3/h5-8,10,14,16,18-19,23H,1,9H2,2-4H3/t14-,16+,18-,19+,21-/m0/s1
InChIKeyHYTBZXQKYMTBRU-DJNKVENRSA-N
Species of MetaboliteComponentSourceComments
Hapalosiphon (ncbitaxon:162985) - DOI (10.1021/ja00333a079)
ChEBI Ontology
Outgoing Relation(s)
Hapalindole B (CHEBI:211994) is a indoles (CHEBI:24828)
IUPAC Name 
(2R,3R,4R,5R,7S)-5-chloro-4-ethenyl-3-isothiocyanato-4,8,8-trimethyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),9(16),10,12-tetraene
Manual XrefsDatabases
10286597ChemSpider