Melithiazol N (CHEBI:198609)

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CHEBI:198609 - Melithiazol N

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ChEBI ID	CHEBI:198609
ChEBI Name	Melithiazol N
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Submitter	MetaboLights
Downloads	Molfile

Formula	C20H24N2O5S2
Net Charge	0
Average Mass	436.555
Monoisotopic Mass	436.11266
SMILES	COC(=O)/C=C(/OC)C(C)C(/C=C/c1csc(-c2csc(C3(C)CO3)n2)n1)OC
InChI	InChI=1S/C20H24N2O5S2/c1-12(16(25-4)8-17(23)26-5)15(24-3)7-6-13-9-28-18(21-13)14-10-29-19(22-14)20(2)11-27-20/h6-10,12,15H,11H2,1-5H3/b7-6+,16-8+
InChIKey	CSHVGXQYZMMSBE-QICXOPSUSA-N

Species of Metabolite	Component	Source	Comments
Archangium (ncbitaxon:47)	-	PubMed (10580385)

ChEBI Ontology

Outgoing Relation(s)
	Melithiazol N (CHEBI:198609) is a thiazoles (CHEBI:48901)

IUPAC Name
methyl (2E,6E)-3,5-dimethoxy-4-methyl-7-[2-[2-(2-methyloxiran-2-yl)-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]hepta-2,6-dienoate

Manual Xrefs	Databases
8798155	ChemSpider