| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:52 UTC |
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| Update Date | 2025-03-21 17:58:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00015119 |
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| Frequency | 288.8 |
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| Structure | |
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| Chemical Formula | C9H7NO8S2 |
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| Molecular Mass | 320.9613 |
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| SMILES | O=S(=O)(O)Oc1ccc2cccc(OS(=O)(=O)O)c2n1 |
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| InChI Key | ZABVMYKJFLGACH-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 | 2-halopyridinesarylsulfatesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinessulfuric acid monoesters |
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| Substituents | quinolonesulfuric acid monoesterorganic sulfuric acid or derivativesazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridineorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoid2-halopyridineorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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