Melithiazol L (CHEBI:200290)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:200290 - Melithiazol L

Take structure to advanced search

ChEBI ID	CHEBI:200290
ChEBI Name	Melithiazol L
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H30N2O5S2
Net Charge	0
Average Mass	454.614
Monoisotopic Mass	454.15961
SMILES	COCC(C)C1=NC(c2nc(/C=C/C(OC)C(C)/C(=C\C(=O)OC)OC)cs2)CS1
InChI	InChI=1S/C21H30N2O5S2/c1-13(10-25-3)20-23-16(12-30-20)21-22-15(11-29-21)7-8-17(26-4)14(2)18(27-5)9-19(24)28-6/h7-9,11,13-14,16-17H,10,12H2,1-6H3/b8-7+,18-9+
InChIKey	WYVRIBVBTSLHBZ-OQUKJUSVSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	Melithiazol L (CHEBI:200290) is a thiazoles (CHEBI:48901)

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

Manual Xrefs	Databases
8988915	ChemSpider