| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:07 UTC |
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| Update Date | 2025-03-25 01:00:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242681 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12N2O |
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| Molecular Mass | 200.095 |
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| SMILES | CC(=O)N1Cc2cc(C#N)ccc2C1C |
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| InChI Key | DAIMDZALNXBUDM-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 | isoindoles |
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| Direct Parent | isoindoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesisoindolinesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amides |
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| Substituents | carbonyl groupnitrileazacycleisoindolecarboxamide groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundisoindolinearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrileacetamideorganooxygen compound |
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