Melithiazol D (CHEBI:220909)

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CHEBI:220909 - Melithiazol D

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ChEBI ID	CHEBI:220909
ChEBI Name	Melithiazol D
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Submitter	MetaboLights
Downloads	Molfile

Formula	C20H28N2O4S2
Net Charge	0
Average Mass	424.588
Monoisotopic Mass	424.14905
SMILES	COC(=O)/C=C(/OC)C(C)C(/C=C/c1csc(C2CSC(C(C)C)=N2)n1)OC
InChI	InChI=1S/C20H28N2O4S2/c1-12(2)19-22-15(11-28-19)20-21-14(10-27-20)7-8-16(24-4)13(3)17(25-5)9-18(23)26-6/h7-10,12-13,15-16H,11H2,1-6H3/b8-7+,17-9+
InChIKey	MKHXEKLNLZKVLK-ITDUAQOSSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	Melithiazol D (CHEBI:220909) is a thiazoles (CHEBI:48901)

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

Manual Xrefs	Databases
8677857	ChemSpider