| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:59 UTC |
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| Update Date | 2025-03-25 00:50:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183009 |
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| Frequency | 0.5 |
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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)Oc1ccc2cc(O)cc(S(=O)(=O)O)c2n1 |
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| InChI Key | MDPRODZRHRXLLY-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 benzenoids1-sulfo,2-unsubstituted aromatic compounds2-halopyridinesarylsulfatesarylsulfonic acids and derivativesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineshydroxyquinolinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidspolyhalopyridinessulfonylssulfuric acid monoesters |
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| Substituents | organosulfonic acid or derivativessulfuric acid monoesterpolyhalopyridineorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfate2-halopyridinequinoloneorganic sulfuric acid or derivatives1-sulfo,2-unsubstituted aromatic compoundazacycleheteroaromatic compoundhydroxypyridinehydroxyquinolinesulfonylpyridinearylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativessulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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