| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:41 UTC |
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| Update Date | 2025-03-25 00:48:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166355 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12N2O2 |
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| Molecular Mass | 228.0899 |
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| SMILES | CC1CCC2(NC(=O)c3ccc(C#N)cc32)O1 |
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| InChI Key | IRFJKAXTLHNCPK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | isoindoles and derivatives |
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| Subclass | isoindolines |
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| Direct Parent | isoindolones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscarboxylic acids and derivativeshydrocarbon derivativesisoindoleslactamsnitrilesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | nitrilelactamazacycletetrahydrofuranisoindolecarboxamide groupcarboxylic acid derivativeoxacyclesecondary carboxylic acid amideisoindoloneorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrileorganooxygen compound |
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