| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:58 UTC |
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| Update Date | 2025-03-25 00:48:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169223 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO4 |
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| Molecular Mass | 247.0845 |
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| SMILES | CCCOC(=O)c1cc(O)c2cccc(O)c2n1 |
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| InChI Key | SKASHPUKSQBAKA-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 | quinolines and derivatives |
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| Subclass | 8-hydroxyquinolines |
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| Direct Parent | 8-hydroxyquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-halopyridinesazacyclic compoundsbenzenoidscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine-2-carboxylic acids |
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| Substituents | pyridine carboxylic acid or derivativespolyhalopyridine1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidepyridine-2-carboxylic acidaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridine8-hydroxyquinolineazacycleheteroaromatic compoundhydroxypyridinemethylpyridine1-hydroxy-4-unsubstituted benzenoidmonocarboxylic acid or derivativespyridineorganic oxygen compoundcarboxylic acid esterpyridine carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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