| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:26 UTC |
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| Update Date | 2025-03-21 18:03:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046797 |
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| Frequency | 76.7 |
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| Structure | |
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| Chemical Formula | C9H7NO6S |
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| Molecular Mass | 256.9994 |
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| SMILES | O=c1c(O)c[nH]c2c(OS(=O)(=O)O)cccc12 |
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| InChI Key | AXIIVSPNIXZUQQ-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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