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CHEBI:198070 - Melithiazol C

ChEBI IDCHEBI:198070
ChEBI NameMelithiazol C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22N2O5S2
Net Charge0
Average Mass422.528
Monoisotopic Mass422.09701
SMILESCOC(=O)/C=C(/OC)C(C)C(/C=C/c1csc(-c2csc(C(C)=O)n2)n1)OC
InChIInChI=1S/C19H22N2O5S2/c1-11(16(25-4)8-17(23)26-5)15(24-3)7-6-13-9-27-19(20-13)14-10-28-18(21-14)12(2)22/h6-11,15H,1-5H3/b7-6+,16-8+
InChIKeyFJJCCBLQMQQDDM-QICXOPSUSA-N
Species of MetaboliteComponentSourceComments
Melittangium (ncbitaxon:44) - PubMed (10580385)
ChEBI Ontology
Outgoing Relation(s)
Melithiazol C (CHEBI:198070) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
methyl (2E,6E)-7-[2-(2-acetyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-3,5-dimethoxy-4-methylhepta-2,6-dienoate
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8677753ChemSpider