| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:58 UTC |
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| Update Date | 2025-03-21 18:35:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107852 |
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| Frequency | 24.9 |
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| Structure | |
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| Chemical Formula | C11H11NO6 |
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| Molecular Mass | 253.0586 |
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| SMILES | O=C(O)CCCOC(=O)c1ncccc1C(=O)O |
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| InChI Key | VMIOVZLEURCJGX-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 | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundscarbonyl compoundscarboxylic acid esterscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridine-2-carboxylic acidspyridine-3-carboxylic acids |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyridine-3-carboxylic acidpolyhalopyridinetricarboxylic acid or derivativesorganic oxidepyridine-2-carboxylic acidorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinepyridineorganic oxygen compoundcarboxylic acid esterpyridine carboxylic acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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