| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:15 UTC |
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| Update Date | 2025-03-21 18:35:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103610 |
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| Frequency | 26.2 |
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| Structure | |
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| Chemical Formula | C11H9NO7S |
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| Molecular Mass | 299.01 |
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| SMILES | O=C(O)Cc1cc(=O)c2cccc(OS(=O)(=O)O)c2[nH]1 |
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| InChI Key | LEPQTWJRCPLFJD-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 compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfuric acid monoestersvinylogous amides |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidpolyhalopyridinecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfate2-halopyridinevinylogous amideorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinedihydroquinolinemonocarboxylic acid or derivativesdihydroquinolonepyridineorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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