| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:00 UTC |
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| Update Date | 2025-03-25 00:46:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158017 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H5N2O4+ |
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| Molecular Mass | 193.0244 |
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| SMILES | O=C(O)c1ccc2[o+]cnc(O)c2n1 |
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| InChI Key | KFBXDSRICLKQIB-UHFFFAOYSA-O |
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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 heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridines |
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| Substituents | carboxylic acidazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinecarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativespyridine-2-carboxylic acidorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganic cationorganooxygen compound |
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