| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:56 UTC |
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| Update Date | 2025-03-21 18:38:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119832 |
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| Frequency | 21.7 |
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| Structure | |
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| Chemical Formula | C10H11NO5 |
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| Molecular Mass | 225.0637 |
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| SMILES | CC(=O)OCc1cnc(C)c(O)c1C(=O)O |
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| InChI Key | IZDNYPYTJLOQDJ-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-halopyridinesazacyclic compoundscarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinesvinylogous acids |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compound2-halopyridineazacycleheteroaromatic compoundhydroxypyridinemethylpyridinevinylogous acidorganic oxygen compoundcarboxylic acid esterpyridine carboxylic aciddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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