| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:28 UTC |
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| Update Date | 2025-03-21 17:58:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00011942 |
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| Frequency | 735.7 |
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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=c1ccc2ccc(OS(=O)(=O)O)cc2[nH]1 |
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| InChI Key | JUUXNHBTZCMEGV-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 | hydroquinolones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesarylsulfatesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroxypyridineslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridinonessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterlactampolyhalopyridineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfate2-halopyridineorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinedihydroquinolinedihydroquinolonepyridineorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterpyridinoneorganooxygen compound |
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