| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:59 UTC |
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| Update Date | 2025-03-25 00:48:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169254 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O3S |
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| Molecular Mass | 280.0882 |
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| SMILES | CCN(CC)S(=O)(=O)c1ccc2ccc(O)nc2c1 |
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| InChI Key | ABCFWLZTJHYSIS-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-halopyridinesaminosulfonyl compoundsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamidespolyhalopyridines |
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| Substituents | organosulfonic acid or derivativespolyhalopyridineorganosulfur compoundorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinequinoloneazacycleaminosulfonyl compoundheteroaromatic compoundhydroxypyridinemethylpyridinesulfonylpyridineorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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