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CHEBI:221641 - Hapalindole M

ChEBI IDCHEBI:221641
ChEBI NameHapalindole M
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24N2S
Net Charge0
Average Mass336.504
Monoisotopic Mass336.16602
SMILESC=C[C@@]1(C)CC[C@H]2[C@H](c3cnc4cccc(c34)C2(C)C)[C@H]1N=C=S
InChIInChI=1S/C21H24N2S/c1-5-21(4)10-9-15-18(19(21)23-12-24)13-11-22-16-8-6-7-14(17(13)16)20(15,2)3/h5-8,11,15,18-19,22H,1,9-10H2,2-4H3/t15-,18-,19+,21-/m0/s1
InChIKeyIFJQNMZCVDODPB-RMYQPGKMSA-N
Species of MetaboliteComponentSourceComments
Hapalosiphon (ncbitaxon:162985) - DOI (10.1021/jo00382a012)
ChEBI Ontology
Outgoing Relation(s)
Hapalindole M (CHEBI:221641) is a indoles (CHEBI:24828)
IUPAC Name 
(2R,3R,4R,7S)-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
8580211ChemSpider