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CHEBI:123215 - 3-phenylpropanoic acid [3-(4-cyanophenyl)-7-methyl-6,8-dioxo-2-[2-(2-pyridinyl)ethyl]-7-isoquinolinyl] ester

ChEBI IDCHEBI:123215
ChEBI Name3-phenylpropanoic acid [3-(4-cyanophenyl)-7-methyl-6,8-dioxo-2-[2-(2-pyridinyl)ethyl]-7-isoquinolinyl] ester
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DownloadsMolfile
FormulaC33H27N3O4
Net Charge0
Average Mass529.596
Monoisotopic Mass529.20016
SMILESCC1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(c3ccc(C#N)cc3)N(CCc3ccccn3)C=C2C1=O
InChIInChI=1S/C33H27N3O4/c1-33(40-31(38)15-12-23-7-3-2-4-8-23)30(37)20-26-19-29(25-13-10-24(21-34)11-14-25)36(22-28(26)32(33)39)18-16-27-9-5-6-17-35-27/h2-11,13-14,17,19-20,22H,12,15-16,18H2,1H3
InChIKeyWZURRFVQEXUPMJ-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)
3-phenylpropanoic acid [3-(4-cyanophenyl)-7-methyl-6,8-dioxo-2-[2-(2-pyridinyl)ethyl]-7-isoquinolinyl] ester (CHEBI:123215) is a azaphilone (CHEBI:50941)
Manual XrefsDatabases
LSM-34657LINCS