| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:17 UTC |
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| Update Date | 2025-03-25 01:01:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247785 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H7NO6S2 |
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| Molecular Mass | 288.9715 |
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| SMILES | O=S(O)c1ccnc2c(OS(=O)(=O)O)cccc12 |
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| InChI Key | XVQLKRQNUBHHJP-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 derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfur compoundspolyhalopyridinessulfinic acidssulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterpolyhalopyridinesulfinic acid derivativeorganosulfur compoundsulfinic acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compoundarylsulfate2-halopyridineorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinepyridineorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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