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CHEBI:112723 - 6-(1,3-dioxo-2-isoindolyl)hexanoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester

ChEBI IDCHEBI:112723
ChEBI Name6-(1,3-dioxo-2-isoindolyl)hexanoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester
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DownloadsMolfile
FormulaC24H21NO6
Net Charge0
Average Mass419.433
Monoisotopic Mass419.13689
SMILESCc1cc(=O)oc2cc(OC(=O)CCCCCN3C(=O)c4ccccc4C3=O)ccc12
InChIInChI=1S/C24H21NO6/c1-15-13-22(27)31-20-14-16(10-11-17(15)20)30-21(26)9-3-2-6-12-25-23(28)18-7-4-5-8-19(18)24(25)29/h4-5,7-8,10-11,13-14H,2-3,6,9,12H2,1H3
InChIKeyPKHXZCADQSXUCF-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
6-(1,3-dioxo-2-isoindolyl)hexanoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester (CHEBI:112723) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-24133LINCS