| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:37 UTC |
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| Update Date | 2025-03-21 18:35:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104524 |
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| Frequency | 25.9 |
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| Structure | |
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| Chemical Formula | C9H8N2O3S |
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| Molecular Mass | 224.0256 |
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| SMILES | Nc1ccc2cccc(S(=O)(=O)O)c2n1 |
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| InChI Key | ZWJJPWJESJITNR-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 derivativeshydroxypyridinesimidolactamsorganic oxidesorganopnictogen compoundsorganosulfonic acidspolyhalopyridinesprimary aminessulfonyls |
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| Substituents | organosulfonic acid or derivativespolyhalopyridineorganosulfonic acidorganosulfur compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineimidolactam1-sulfo,2-unsubstituted aromatic compoundazacycleheteroaromatic compoundhydroxypyridinesulfonylpyridinearylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamine |
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