| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:33 UTC |
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| Update Date | 2025-03-25 00:50:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179772 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H13NO3S |
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| Molecular Mass | 299.0616 |
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| SMILES | CS(=O)(=O)c1ccc(-c2ccc3cc(O)ccc3n2)cc1 |
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| InChI Key | VFVUWPXQTADUEV-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 | phenylquinolines |
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| Direct Parent | phenylquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2-halopyridinesazacyclic compoundsbenzenesulfonyl compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineshydroxyquinolinesmethylpyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinessulfones |
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| Substituents | monocyclic benzene moietyphenylquinolinepolyhalopyridine1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinebenzenesulfonyl groupazacycleheteroaromatic compoundhydroxypyridinemethylpyridinehydroxyquinolinesulfonylpyridineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundsulfone |
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