| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:51 UTC |
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| Update Date | 2025-03-21 18:40:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131478 |
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| Frequency | 19.3 |
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| Structure | |
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| Chemical Formula | C7H7N3O2 |
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| Molecular Mass | 165.0538 |
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| SMILES | CN1C(=O)C(=O)c2c1ncn2C |
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| InChI Key | PDZQPJYJXTXUAO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl ketones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamslactamsn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amidesvinylogous amides |
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| Substituents | vinylogous amidelactamazacycleheteroaromatic compoundcarboxamide groupcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundimidazoletertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundimidolactamorganoheterocyclic compoundaryl ketoneazolen-substituted imidazole |
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