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CHEBI:210886 - Cystothiazole D

ChEBI IDCHEBI:210886
ChEBI NameCystothiazole D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22N2O4S2
Net Charge0
Average Mass406.529
Monoisotopic Mass406.10210
SMILESC=C(C)c1nc(-c2nc(/C=C/[C@H](O)[C@@H](C)/C(=C\C(=O)OC)OC)cs2)cs1
InChIInChI=1S/C19H22N2O4S2/c1-11(2)18-21-14(10-27-18)19-20-13(9-26-19)6-7-15(22)12(3)16(24-4)8-17(23)25-5/h6-10,12,15,22H,1H2,2-5H3/b7-6+,16-8+/t12-,15+/m1/s1
InChIKeySTHVLFLKSIMKHT-DLZOOJRJSA-N
Species of MetaboliteComponentSourceComments
Cystobacter (ncbitaxon:42) - DOI (10.1016/s0040-4020(98)00694-2)
ChEBI Ontology
Outgoing Relation(s)
Cystothiazole D (CHEBI:210886) is a thiazoles (CHEBI:48901)
IUPAC Name 
methyl (2E,4R,5S,6E)-5-hydroxy-3-methoxy-4-methyl-7-[2-(2-prop-1-en-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]hepta-2,6-dienoate
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8962833ChemSpider