| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:18 UTC |
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| Update Date | 2025-03-25 01:01:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252364 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8N2O5 |
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| Molecular Mass | 212.0433 |
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| SMILES | Nc1cc(C(=O)O)c(CC(=O)O)c(=O)[nH]1 |
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| InChI Key | PXZNLOIVKOREML-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 | pyridinecarboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds2-halopyridinesamino acidsazacyclic compoundscarbonyl compoundsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsorganic oxidesorganopnictogen compoundspolyhalopyridinesprimary aminespyridinones |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidpolyhalopyridinecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compound2-halopyridineazacycleheteroaromatic compoundhydroxypyridineorganic oxygen compoundpyridine carboxylic aciddicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundpyridinoneamineorganooxygen compound |
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