| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:40 UTC |
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| Update Date | 2025-03-25 00:59:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234839 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H9ClO3S |
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| Molecular Mass | 267.9961 |
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| SMILES | O=S(=O)(Oc1ccccc1)c1ccc(Cl)cc1 |
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| InChI Key | FQIJSBUGQPNMQA-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 estersphenoxy compoundssulfonyls |
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| Substituents | aryl chloridechlorobenzeneorganosulfonic acid or derivativesbenzenesulfonate esterorganochlorideorganosulfur compoundorganohalogen compoundorganosulfonic acid esteraryl halidearomatic homomonocyclic compoundorganic oxidesulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compoundbenzenesulfonyl group |
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