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CHEBI:93548 - 3-hydroxy-9-methoxy-6-oxo-7-(1-oxopentyl)-1-pentyl-2-benzo[b][1,4]benzodioxepincarboxylic acid

Default Structure
ChEBI IDCHEBI:93548
ChEBI Name3-hydroxy-9-methoxy-6-oxo-7-(1-oxopentyl)-1-pentyl-2-benzo[b][1,4]benzodioxepincarboxylic acid
Stars
DownloadsMolfile
FormulaC25H28O8
Net Charge0
Average Mass456.491
Monoisotopic Mass456.17842
SMILESCCCCCc1c2c(cc(O)c1C(=O)O)OC(=O)c1c(cc(OC)cc1C(=O)CCCC)O2
InChIInChI=1S/C25H28O8/c1-4-6-8-9-15-21(24(28)29)18(27)13-20-23(15)32-19-12-14(31-3)11-16(17(26)10-7-5-2)22(19)25(30)33-20/h11-13,27H,4-10H2,1-3H3,(H,28,29)
InChIKeyJHEWMLHQNRHTQX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-9-methoxy-6-oxo-7-(1-oxopentyl)-1-pentyl-2-benzo[b][1,4]benzodioxepincarboxylic acid (CHEBI:93548) is a carbonyl compound (CHEBI:36586)
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