| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:52 UTC |
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| Update Date | 2025-03-21 18:28:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073837 |
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| Frequency | 40.3 |
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| Structure | |
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| Chemical Formula | C6H6N2O |
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| Molecular Mass | 122.048 |
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| SMILES | O=CNc1cccnc1 |
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| InChI Key | CBKFHSNATJJWQK-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 derivativesorganic oxidesorganopnictogen compoundspyridines and derivativessecondary carboxylic acid amides |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundazacycleheteroaromatic compoundn-arylamidecarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxidepyridineorganic oxygen compoundorganopnictogen compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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