| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:59:47 UTC |
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| Update Date | 2025-03-24 16:36:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00913841 |
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| Frequency | 1.6 |
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| Structure | |
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| Chemical Formula | C5H5N3O |
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| Molecular Mass | 123.0433 |
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| SMILES | O=C1CNc2nc[nH]c21 |
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| InChI Key | MNOZSXNIPXEHKP-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 alkyl ketones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundssecondary alkylarylaminesvinylogous amides |
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| Substituents | vinylogous amidearyl alkyl ketoneazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundimidolactamorganoheterocyclic compoundamineazole |
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