| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:54 UTC |
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| Update Date | 2025-03-21 18:05:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054817 |
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| Frequency | 58.6 |
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| Structure | |
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| Chemical Formula | C8H8N2O3 |
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| Molecular Mass | 180.0535 |
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| SMILES | CC(=O)Nc1ccnc(C(=O)O)c1 |
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| InChI Key | JWWWOLMWKMKSJK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyridines and derivatives |
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| Subclass | pyridinecarboxylic acids and derivatives |
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| Direct Parent | pyridine-2-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesacetamidesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundspolyhalopyridinessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidn-acetylarylaminearomatic heteromonocyclic compoundpolyhalopyridinen-arylamidecarboxylic acid derivativeorganic oxidepyridine-2-carboxylic acidorganonitrogen compoundorganopnictogen compound2-halopyridineacetamideazacycleheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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