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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