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CHEBI:117128 - 3-phenylpropanoic acid [3-(4-cyanophenyl)-2-cyclohexyl-7-methyl-6,8-dioxo-7-isoquinolinyl] ester

ChEBI IDCHEBI:117128
ChEBI Name3-phenylpropanoic acid [3-(4-cyanophenyl)-2-cyclohexyl-7-methyl-6,8-dioxo-7-isoquinolinyl] ester
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DownloadsMolfile
FormulaC32H30N2O4
Net Charge0
Average Mass506.602
Monoisotopic Mass506.22056
SMILESCC1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(c3ccc(C#N)cc3)N(C3CCCCC3)C=C2C1=O
InChIInChI=1S/C32H30N2O4/c1-32(38-30(36)17-14-22-8-4-2-5-9-22)29(35)19-25-18-28(24-15-12-23(20-33)13-16-24)34(21-27(25)31(32)37)26-10-6-3-7-11-26/h2,4-5,8-9,12-13,15-16,18-19,21,26H,3,6-7,10-11,14,17H2,1H3
InChIKeyFCBMPROIKFXPAS-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)-2-cyclohexyl-7-methyl-6,8-dioxo-7-isoquinolinyl] ester (CHEBI:117128) is a azaphilone (CHEBI:50941)
Manual XrefsDatabases
LSM-28577LINCS