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CHEBI:217747 - Trichothiazole A

ChEBI IDCHEBI:217747
ChEBI NameTrichothiazole A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H21Cl2NS
Net Charge0
Average Mass342.335
Monoisotopic Mass341.07718
SMILESC#CCCCCCc1nc(CC/C(=C\Cl)C/C=C/Cl)cs1
InChIInChI=1S/C17H21Cl2NS/c1-2-3-4-5-6-9-17-20-16(14-21-17)11-10-15(13-19)8-7-12-18/h1,7,12-14H,3-6,8-11H2/b12-7+,15-13-
InChIKeyRRELOQVRCVAZDA-HMHGSNSKSA-N
Species of MetaboliteComponentSourceComments
Trichodesmiumspecies (ncbitaxon:1207) - DOI (10.1016/j.tetlet.2017.09.027)
ChEBI Ontology
Outgoing Relation(s)
Trichothiazole A (CHEBI:217747) is a thiazoles (CHEBI:48901)
IUPAC Name 
4-[(E,3E)-6-chloro-3-(chloromethylidene)hex-5-enyl]-2-hept-6-ynyl-1,3-thiazole
Manual XrefsDatabases
62710039ChemSpider