| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:17 UTC |
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| Update Date | 2025-03-25 00:57:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222829 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7NO4 |
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| Molecular Mass | 181.0375 |
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| SMILES | O=Cc1cn(CC(=O)O)ccc1=O |
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| InChI Key | GYUBJVQMNLWPMJ-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 and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl-aldehydesazacyclic compoundscarboxylic acidscyclic ketonesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyridine carboxaldehydespyridinecarboxylic acids and derivativesvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl group3-pyridine carboxaldehydecarboxylic acidaromatic heteromonocyclic compoundcyclic ketonealpha-amino acid or derivativesorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundhydroxypyridinealdehydemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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