| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:09 UTC |
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| Update Date | 2025-03-25 01:01:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252027 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H6ClNO4S |
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| Molecular Mass | 258.9706 |
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| SMILES | O=S(=O)(O)Oc1cc(Cl)c2ccccc2n1 |
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| InChI Key | JMQMTMLOYFVZNL-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-halopyridinesaryl chloridesarylsulfatesazacyclic compoundsbenzenoidschloroquinolinesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterpolyhalopyridineorganochlorideorganohalogen compoundhaloquinolineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfate2-halopyridinearyl chloridequinoloneorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinearyl halidepyridinechloroquinolineorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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