| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:06 UTC |
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| Update Date | 2025-03-25 00:50:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183272 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H7NO6 |
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| Molecular Mass | 249.0273 |
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| SMILES | O=C(O)c1nc2c(O)cccc2c(C(=O)O)c1O |
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| InChI Key | MZBUULAVXAHNKE-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 | quinoline carboxylic acids |
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| Direct Parent | quinoline carboxylic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-halopyridines8-hydroxyquinolinesazacyclic compoundsbenzenoidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine-2-carboxylic acidsvinylogous acids |
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| Substituents | pyridine carboxylic acid or derivativescarboxylic acidpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidquinoline-4-carboxylic acidcarboxylic acid derivativeorganic oxidepyridine-2-carboxylic acidaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compound2-halopyridine8-hydroxyquinolineazacycleheteroaromatic compoundhydroxypyridine1-hydroxy-4-unsubstituted benzenoidvinylogous acidpyridineorganic oxygen compoundpyridine carboxylic aciddicarboxylic acid or derivativesquinoline-2-carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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