| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:13 UTC |
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| Update Date | 2025-03-21 18:38:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120467 |
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| Frequency | 21.6 |
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| Structure | |
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| Chemical Formula | C6H3Cl3O3S |
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| Molecular Mass | 259.8868 |
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| SMILES | O=S(=O)(O)c1cc(Cl)c(Cl)cc1Cl |
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| InChI Key | LEDKKDPOPIKMSZ-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-sulfo,2-unsubstituted aromatic compoundsaryl chloridesarylsulfonic acids and derivativesbenzenesulfonyl compoundschlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesorganosulfonic acidssulfonyls |
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| Substituents | aryl chloridechlorobenzeneorganosulfonic acid or derivatives1-sulfo,2-unsubstituted aromatic compoundorganochlorideorganosulfonic acidbenzenesulfonateorganosulfur compoundorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxidesulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativehalobenzenebenzenesulfonyl group |
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