| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:03:20 UTC |
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| Update Date | 2025-03-25 00:33:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02069870 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C6H7N3O |
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| Molecular Mass | 137.0589 |
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| SMILES | Cn1cnc2c1NCC2=O |
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| InChI Key | TVVPEOFYTLMDQV-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 derivativesimidazolesn-substituted imidazolesorganic 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 compoundorganoheterocyclic compoundamineazolen-substituted imidazole |
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