| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:49 UTC |
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| Update Date | 2025-03-25 00:52:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193948 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11NO4S |
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| Molecular Mass | 253.0409 |
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| SMILES | CCS(=O)(=O)Oc1cccc2ccc(O)nc12 |
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| InChI Key | CIQKUJZQKZYUKU-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-halopyridinesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acid esterspolyhalopyridinessulfonic acid esterssulfonyls |
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| Substituents | organosulfonic acid or derivativespolyhalopyridineorganosulfur compoundsulfonic acid esterorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinequinoloneazacycleheteroaromatic compoundhydroxypyridinemethylpyridineorganosulfonic acid estersulfonylpyridineorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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