| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:32 UTC |
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| Update Date | 2025-03-21 18:34:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099352 |
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| Frequency | 47.7 |
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| Structure | |
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| Chemical Formula | C9H7NO6S |
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| Molecular Mass | 256.9994 |
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| SMILES | O=c1cc(OS(=O)(=O)O)c2cccc(O)c2[nH]1 |
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| InChI Key | MTJCDNFXLVXWLI-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 | quinolones and derivatives |
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| Direct Parent | hydroquinolones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-halopyridines8-hydroxyquinolinesarylsulfatesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroxypyridineslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridinonessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterlactampolyhalopyridine1-hydroxy-2-unsubstituted benzenoidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfate2-halopyridineorganic sulfuric acid or derivatives8-hydroxyquinolineazacycleheteroaromatic compoundhydroxypyridinedihydroquinoline1-hydroxy-4-unsubstituted benzenoiddihydroquinolonepyridineorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterpyridinoneorganooxygen compound |
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