| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:19 UTC |
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| Update Date | 2025-03-21 18:04:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051207 |
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| Frequency | 63.9 |
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| Structure | |
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| Chemical Formula | C10H9NO6S |
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| Molecular Mass | 271.0151 |
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| SMILES | O=S(=O)(O)OCOc1ccc2cccc(O)c2n1 |
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| InChI Key | VVCGKUORTVDFSC-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-hydroxy-4-unsubstituted benzenoids2-halopyridines8-hydroxyquinolinesalkyl sulfatesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidorganic oxidearomatic heteropolycyclic compoundalkyl sulfateorganonitrogen compoundorganopnictogen compound2-halopyridinequinoloneorganic sulfuric acid or derivatives8-hydroxyquinolineazacycleheteroaromatic compoundhydroxypyridine1-hydroxy-4-unsubstituted benzenoidpyridineorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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