| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:45 UTC |
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| Update Date | 2025-03-21 18:30:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00080823 |
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| Frequency | 35.9 |
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| Structure | |
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| Chemical Formula | C9H7NO5S |
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| Molecular Mass | 241.0045 |
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| SMILES | O=S(=O)(O)Oc1ccnc2cccc(O)c12 |
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| InChI Key | TYJMXWHKZNEBTA-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-halopyridinesarylsulfatesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compoundarylsulfate2-halopyridineorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridine1-hydroxy-4-unsubstituted benzenoidpyridineorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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