| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:44 UTC |
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| Update Date | 2025-03-21 18:03:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042684 |
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| Frequency | 95.8 |
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| Structure | |
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| Chemical Formula | C10H9NO5S |
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| Molecular Mass | 255.0201 |
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| SMILES | Cc1cc(=O)c2cccc(OS(=O)(=O)O)c2[nH]1 |
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| InChI Key | HKTZRKNWVBKPOD-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 compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroxypyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinessulfuric acid monoestersvinylogous amides |
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| Substituents | sulfuric acid monoesterpolyhalopyridineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfate2-halopyridinevinylogous amideorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinedihydroquinolinedihydroquinolonepyridineorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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