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CHEBI:217004 - Cystothiazole F

ChEBI IDCHEBI:217004
ChEBI NameCystothiazole F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26N2O5S2
Net Charge0
Average Mass438.571
Monoisotopic Mass438.12831
SMILESCOC(=O)/C=C(/OC)[C@H](C)[C@H](/C=C/c1csc(-c2csc(C(C)CO)n2)n1)OC
InChIInChI=1S/C20H26N2O5S2/c1-12(9-23)19-22-15(11-29-19)20-21-14(10-28-20)6-7-16(25-3)13(2)17(26-4)8-18(24)27-5/h6-8,10-13,16,23H,9H2,1-5H3/b7-6+,17-8+/t12?,13-,16+/m1/s1
InChIKeyNNHQJGYIKGOYDM-OXKNUSSDSA-N
Species of MetaboliteComponentSourceComments
Cystobacter fuscus (ncbitaxon:43) - DOI (10.1016/s0040-4020(98)00694-2)
ChEBI Ontology
Outgoing Relation(s)
Cystothiazole F (CHEBI:217004) is a thiazoles (CHEBI:48901)
IUPAC Name 
methyl (2E,4R,5S,6E)-7-[2-[2-(1-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-3,5-dimethoxy-4-methylhepta-2,6-dienoate
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8678577ChemSpider