| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:25 UTC |
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| Update Date | 2025-03-25 00:45:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152112 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12N2O4 |
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| Molecular Mass | 224.0797 |
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| SMILES | NC(CCc1cccnc1C(=O)O)C(=O)O |
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| InChI Key | NADXGONGMUKDTB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridine-2-carboxylic acids |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridineorganic oxidepyridine-2-carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinepyridineorganic oxygen compoundpyridine carboxylic aciddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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