| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:27 UTC |
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| Update Date | 2025-03-21 18:32:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00091868 |
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| Frequency | 30.5 |
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| Structure | |
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| Chemical Formula | C6H4N2O4 |
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| Molecular Mass | 168.0171 |
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| SMILES | O=C(O)c1cccc([N+](=O)[O-])n1 |
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| InChI Key | MIHFOFLNJIPDRY-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-halopyridinesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsmonocarboxylic acids and derivativesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundpolyhalopyridineallyl-type 1,3-dipolar organic compoundcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidepyridine-2-carboxylic acidc-nitro compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganic oxoazaniumimidolactamnitroaromatic compoundazacycleheteroaromatic compoundhydroxypyridineorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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