Melithiazol I (CHEBI:198748)

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CHEBI:198748 - Melithiazol I

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ChEBI ID	CHEBI:198748
ChEBI Name	Melithiazol I
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H28N2O4S2
Net Charge	0
Average Mass	436.599
Monoisotopic Mass	436.14905
SMILES	COC(=O)/C=C(/OC)C(C)C(/C=C/c1csc(-c2csc(CC(C)C)n2)n1)OC
InChI	InChI=1S/C21H28N2O4S2/c1-13(2)9-19-23-16(12-28-19)21-22-15(11-29-21)7-8-17(25-4)14(3)18(26-5)10-20(24)27-6/h7-8,10-14,17H,9H2,1-6H3/b8-7+,18-10+
InChIKey	IREIUZIQIGYVOY-SAWMHMBASA-N

Species of Metabolite	Component	Source	Comments
Melittangium lichenicola (ncbitaxon:45)	-	PubMed (10580385)

ChEBI Ontology

Outgoing Relation(s)
	Melithiazol I (CHEBI:198748) is a thiazoles (CHEBI:48901)

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

Manual Xrefs	Databases
8726288	ChemSpider