Cystothiazole B (CHEBI:203353)

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CHEBI:203353 - Cystothiazole B

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ChEBI ID	CHEBI:203353
ChEBI Name	Cystothiazole B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H26N2O5S2
Net Charge	0
Average Mass	438.571
Monoisotopic Mass	438.12831
SMILES	COC(=O)/C=C(/OC)[C@H](C)[C@H](/C=C/c1csc(-c2csc(C(C)(C)O)n2)n1)OC
InChI	InChI=1S/C20H26N2O5S2/c1-12(16(26-5)9-17(23)27-6)15(25-4)8-7-13-10-28-18(21-13)14-11-29-19(22-14)20(2,3)24/h7-12,15,24H,1-6H3/b8-7+,16-9+/t12-,15+/m1/s1
InChIKey	DEBRBEDKRGQAPL-RPKNRIRISA-N

Species of Metabolite	Component	Source	Comments
Cystobacter fuscus (ncbitaxon:43)	-	PubMed (9589062)

ChEBI Ontology

Outgoing Relation(s)
	Cystothiazole B (CHEBI:203353) is a thiazoles (CHEBI:48901)

IUPAC Name
methyl (2E,4R,5S,6E)-7-[2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-3,5-dimethoxy-4-methylhepta-2,6-dienoate

Manual Xrefs	Databases
8608696	ChemSpider