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CHEBI:93867 - 2-thiophenecarboxylic acid [3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-2-phenyl-7-isoquinolinyl] ester

ChEBI IDCHEBI:93867
ChEBI Name2-thiophenecarboxylic acid [3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-2-phenyl-7-isoquinolinyl] ester
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DownloadsMolfile
FormulaC26H23NO6S
Net Charge0
Average Mass477.538
Monoisotopic Mass477.12461
SMILESCOC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)c3cccs3)C(=O)C2=CN1c1ccccc1
InChIInChI=1S/C26H23NO6S/c1-26(33-25(31)21-11-7-13-34-21)22(28)15-17-14-19(10-6-12-23(29)32-2)27(16-20(17)24(26)30)18-8-4-3-5-9-18/h3-5,7-9,11,13-16H,6,10,12H2,1-2H3
InChIKeyCEQQMHJEJHSRJU-UHFFFAOYSA-N
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
2-thiophenecarboxylic acid [3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-2-phenyl-7-isoquinolinyl] ester (CHEBI:93867) is a azaphilone (CHEBI:50941)
Manual XrefsDatabases
LSM-4441LINCS