CHEBI:210959 - Conulothiazole C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Conulothiazole C
ChEBI ID CHEBI:210959
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H33ClN2OS
Net Charge 0
Average Mass 445.060
Monoisotopic Mass 444.20021
InChI InChI=1S/C25H33ClN2OS/c1-18(10-11-23(17-26)16-22-8-6-5-7-9-22)14-19(2)15-20(3)24(29)28-21(4)25-27-12-13-30-25/h5-9,12-13,15,17-19,21H,10-11,14,16H2,1-4H3,(H,28,29)/b20-15+,23-17-
InChIKey FMQFYRHBQHQFMX-GHIRWXSUSA-N
SMILES Cl/C=C(\CC1=CC=CC=C1)/CCC(CC(/C=C(/C(=O)NC(C=2SC=CN2)C)\C)C)C
Metabolite of Species Details
Trichodesmiumspecies (NCBI:txid1207) See: PubMed
ChEBI Ontology
Outgoing Conulothiazole C (CHEBI:210959) is a monoterpenoid (CHEBI:25409)
IUPAC Name
(2E,9Z)-9-benzyl-10-chloro-2,4,6-trimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]deca-2,9-dienamide
Manual Xref Database
74181505 ChemSpider
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