| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:17:23 UTC |
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| Update Date | 2025-03-21 19:09:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00244606 |
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| Frequency | 8.6 |
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| Structure | |
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| Chemical Formula | C6H9N3O |
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| Molecular Mass | 139.0746 |
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| SMILES | Cn1cnc(C(=O)CN)c1 |
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| InChI Key | CXCQERHMSICWEN-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 heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonylimidazolesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amidearyl alkyl ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeimidazole-4-carbonyl groupprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundazolen-substituted imidazole |
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