| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:07 UTC |
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| Update Date | 2025-03-25 00:45:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151388 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H3N3O |
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| Molecular Mass | 121.0276 |
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| SMILES | N#CC(=O)c1c[nH]cn1 |
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| InChI Key | GYLLULYQTWZEGJ-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 heteromonocyclic compounds |
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| Alternative Parents | acyl cyanidesazacyclic compoundscarbonylimidazolesheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amidenitrilearomatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic oxideacyl cyanideimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeimidazole-4-carbonyl grouporganic nitrogen compoundcarbonitrileorganoheterocyclic compoundaryl ketoneazole |
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