| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:50 UTC |
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| Update Date | 2025-03-21 18:40:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131450 |
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| Frequency | 19.3 |
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| Structure | |
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| Chemical Formula | C9H10N2O5 |
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| Molecular Mass | 226.059 |
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| SMILES | NC(Cc1cc(C(=O)O)[nH]c(=O)c1)C(=O)O |
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| InChI Key | ZFXWNLZXWXOKAY-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 derivativeshydroxypyridineslactamsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridine-2-carboxylic acidspyridinones |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl grouplactamcarboxylic 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 compoundpyridinoneorganooxygen compound |
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