| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:22 UTC |
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| Update Date | 2025-03-25 00:57:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223025 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12N2O5S |
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| Molecular Mass | 296.0467 |
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| SMILES | NC(CS(=O)(=O)c1cccc2ccc(O)nc12)C(=O)O |
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| InChI Key | TZGKGOMPVJKTKO-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 | 2-halopyridinesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfones |
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| Substituents | carbonyl groupcarboxylic acidpolyhalopyridinealpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridinequinoloneazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativessulfonylpyridineorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundsulfone |
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