| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:29 UTC |
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| Update Date | 2025-03-21 18:04:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053870 |
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| Frequency | 59.9 |
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| Structure | |
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| Chemical Formula | C9H7NO3S |
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| Molecular Mass | 209.0147 |
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| SMILES | O=S(=O)(O)c1cccc2cccnc12 |
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| InChI Key | SXVRECLPTCOMIA-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 | quinolines and derivatives |
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| Direct Parent | quinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compounds2-halopyridinesarylsulfonic acids and derivativesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidspolyhalopyridinessulfonyls |
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| Substituents | organosulfonic acid or derivatives1-sulfo,2-unsubstituted aromatic compoundazacyclepolyhalopyridineorganosulfonic acidheteroaromatic compoundhydroxypyridineorganosulfur compoundorganic oxidesulfonylpyridinearylsulfonic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesorganonitrogen compoundquinolineorganopnictogen compoundhydrocarbon derivative2-halopyridinebenzenoidorganic nitrogen compound |
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