| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:04 UTC |
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| Update Date | 2025-03-21 18:32:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00090950 |
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| Frequency | 30.9 |
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| Structure | |
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| Chemical Formula | C6H6ClNO3S |
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| Molecular Mass | 206.9757 |
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| SMILES | NS(=O)(=O)c1cc(Cl)ccc1O |
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| InChI Key | PKJFFXNIQFWAIP-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 | benzenesulfonamides |
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| Direct Parent | benzenesulfonamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaminosulfonyl compoundsaryl chloridesbenzenesulfonyl compoundschlorobenzeneshalophenolshydrocarbon derivativesorganic nitrogen compoundsorganic oxidesorganochloridesorganooxygen compoundsorganosulfonamidesp-chlorophenols |
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| Substituents | organosulfonic acid or derivativesorganochloride1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundorganohalogen compoundorganosulfonic acid amideorganic oxide4-halophenolbenzenesulfonyl grouparyl chloridechlorobenzenebenzenesulfonamideaminosulfonyl compound4-chlorophenolaryl halidearomatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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