| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:41 UTC |
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| Update Date | 2025-03-25 00:54:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205100 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8N2O7S2 |
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| Molecular Mass | 319.9773 |
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| SMILES | O=S(=O)(O)Nc1ccc2cccc(OS(=O)(=O)O)c2n1 |
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| InChI Key | QLKMRDGQGZGBTF-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 | quinolines and derivatives |
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| Direct Parent | quinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesarylsulfatesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinessulfuric acid monoamidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterpolyhalopyridineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compoundarylsulfate2-halopyridineimidolactamorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinepyridineorganic oxygen compoundsulfuric acid monoamidesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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