| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:05 UTC |
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| Update Date | 2025-03-21 18:30:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081588 |
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| Frequency | 35.5 |
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| Structure | |
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| Chemical Formula | C8H7NO5 |
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| Molecular Mass | 197.0324 |
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| SMILES | O=C(O)c1cccc(C(O)C(=O)O)n1 |
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| InChI Key | DKKNYHWHOHTLOO-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-halopyridinesalpha hydroxy acids and derivativesaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary alcohols |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinealpha-hydroxy acidcarboxylic acid derivativeorganic oxidepyridine-2-carboxylic acidorganonitrogen compoundorganopnictogen compound2-halopyridinealcoholazacycleheteroaromatic compoundhydroxypyridinehydroxy acidorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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