| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:40 UTC |
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| Update Date | 2025-03-25 00:56:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219094 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H7ClO3S |
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| Molecular Mass | 205.9804 |
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| SMILES | COS(=O)(=O)c1ccc(Cl)cc1 |
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| InChI Key | VQFKYAZZFFNYQV-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 | benzenesulfonate esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl chloridesarylsulfonic acids and derivativesbenzenesulfonyl compoundschlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesorganooxygen compoundsorganosulfonic acid esterssulfonyls |
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| Substituents | aryl chloridechlorobenzeneorganosulfonic acid or derivativesbenzenesulfonate esterorganochlorideorganosulfur compoundorganohalogen compoundorganosulfonic acid esteraryl halidearomatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativehalobenzeneorganooxygen compoundbenzenesulfonyl group |
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