| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:42 UTC |
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| Update Date | 2025-03-25 00:53:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200583 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9NO5S |
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| Molecular Mass | 255.0201 |
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| SMILES | COS(=O)(=O)Oc1ccc2cc(O)ccc2n1 |
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| InChI Key | PXBRZKQKYMWDCR-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 | quinolones and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2-halopyridinesalkyl sulfatesarylsulfatesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineshydroxyquinolinesmethylpyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinessulfuric acid diesters |
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| Substituents | polyhalopyridine1-hydroxy-2-unsubstituted benzenoidorganic oxidesulfuric acid diesteraromatic heteropolycyclic compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundarylsulfate2-halopyridinequinoloneorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinemethylpyridinehydroxyquinolinepyridineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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