| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:10 UTC |
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| Update Date | 2025-03-21 18:41:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136722 |
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| Frequency | 18.3 |
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| Structure | |
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| Chemical Formula | C8H8NO4+ |
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| Molecular Mass | 182.0448 |
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| SMILES | C[n+]1cc(C(=O)O)cc(C(=O)O)c1 |
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| InChI Key | IVHXFHPNLJISPX-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-3-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesn-methylpyridinium compoundsorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesvinylogous amides |
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| Substituents | vinylogous amidecarboxylic acidn-methylpyridiniumaromatic heteromonocyclic compoundazacyclepyridine-3-carboxylic acidpolyhalopyridineheteroaromatic compoundhydroxypyridinecarboxylic acid derivativeorganic oxideorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganooxygen compound |
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