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CHEBI:210953 - Isoconulothiazole B

ChEBI IDCHEBI:210953
ChEBI NameIsoconulothiazole B
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SubmitterMetaboLights
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FormulaC22H27ClN2OS
Net Charge0
Average Mass402.991
Monoisotopic Mass402.15326
SMILESC/C(=C\C(C)CC/C(=C/Cl)Cc1ccccc1)C(=O)N[C@@H](C)c1nccs1
InChIInChI=1S/C22H27ClN2OS/c1-16(9-10-20(15-23)14-19-7-5-4-6-8-19)13-17(2)21(26)25-18(3)22-24-11-12-27-22/h4-8,11-13,15-16,18H,9-10,14H2,1-3H3,(H,25,26)/b17-13+,20-15-/t16?,18-/m0/s1
InChIKeyUVEMTFXECCTWBX-JJNFMDHOSA-N
Species of MetaboliteComponentSourceComments
Trichodesmiumspecies (ncbitaxon:1207) - PubMed (31871685)
ChEBI Ontology
Outgoing Relation(s)
Isoconulothiazole B (CHEBI:210953) is a benzenes (CHEBI:22712)
IUPAC Name 
(2E,7Z)-7-benzyl-8-chloro-2,4-dimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]octa-2,7-dienamide
Manual XrefsDatabases
74181504ChemSpider