| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:24 UTC |
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| Update Date | 2025-03-21 18:38:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118600 |
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| Frequency | 22.0 |
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| Structure | |
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| Chemical Formula | C6H5ClO4S |
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| Molecular Mass | 207.9597 |
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| SMILES | O=S(=O)(O)c1ccc(O)c(Cl)c1 |
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| InChI Key | TVDOSSMKISEXMV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzenesulfonic acids and derivatives |
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| Direct Parent | benzenesulfonic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-sulfo,2-unsubstituted aromatic compoundsaryl chloridesarylsulfonic acids and derivativesbenzenesulfonyl compoundschlorobenzeneshalophenolshydrocarbon derivativeso-chlorophenolsorganic oxidesorganochloridesorganooxygen compoundsorganosulfonic acidssulfonyls |
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| Substituents | organosulfonic acid or derivativesorganochlorideorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidbenzenesulfonateorganosulfur compoundorganohalogen compoundorganic oxidebenzenesulfonyl grouparyl chloride2-chlorophenolchlorobenzene1-sulfo,2-unsubstituted aromatic compoundaryl halidearomatic homomonocyclic compound2-halophenolsulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesphenolhydrocarbon derivativehalobenzeneorganooxygen compound |
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