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CHEBI:113529 - 8,10-dichloro-3,9-dihydroxy-1,4,7-trimethyl-6-oxo-2-benzo[b][1,4]benzodioxepincarboxylic acid methyl ester

Default Structure
ChEBI IDCHEBI:113529
ChEBI Name8,10-dichloro-3,9-dihydroxy-1,4,7-trimethyl-6-oxo-2-benzo[b][1,4]benzodioxepincarboxylic acid methyl ester
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DownloadsMolfile
FormulaC18H14Cl2O7
Net Charge0
Average Mass413.209
Monoisotopic Mass412.01166
SMILESCOC(=O)c1c(C)c2c(c(C)c1O)OC(=O)c1c(C)c(Cl)c(O)c(Cl)c1O2
InChIInChI=1S/C18H14Cl2O7/c1-5-9-16(11(20)13(22)10(5)19)26-14-6(2)8(17(23)25-4)12(21)7(3)15(14)27-18(9)24/h21-22H,1-4H3
InChIKeyRCLFRVZNHRFQGE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
8,10-dichloro-3,9-dihydroxy-1,4,7-trimethyl-6-oxo-2-benzo[b][1,4]benzodioxepincarboxylic acid methyl ester (CHEBI:113529) is a carbonyl compound (CHEBI:36586)
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LSM-24942LINCS