| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:51:03 UTC |
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| Update Date | 2025-03-24 14:36:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00892956 |
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| Frequency | 1.6 |
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| Structure | |
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| Chemical Formula | C4H5N3O |
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| Molecular Mass | 111.0433 |
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| SMILES | O=CNc1ncc[nH]1 |
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| InChI Key | SMXZQOMVCREYNY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | n-arylamides |
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| Direct Parent | n-arylamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundazacycleheteroaromatic compoundn-arylamidecarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxideorganic oxygen compoundimidazoleorganopnictogen compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compoundazole |
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