| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:39 UTC |
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| Update Date | 2025-03-25 00:59:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239277 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H2Cl3NO4S |
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| Molecular Mass | 300.877 |
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| SMILES | N#Cc1c(Cl)c(O)c(Cl)c(S(=O)(=O)O)c1Cl |
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| InChI Key | CSBDNAYLOIFWIY-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 | aryl chloridesarylsulfonic acids and derivativesbenzenesulfonyl compoundsbenzonitrileschlorobenzeneshalophenolshydrocarbon derivativesnitrileso-chlorophenolsorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidsp-chlorophenolssulfonyls |
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| Substituents | organosulfonic acid or derivativesnitrileorganochlorideorganosulfonic acidbenzenesulfonateorganosulfur compoundorganohalogen compoundorganic oxide4-halophenolorganonitrogen compoundorganopnictogen compoundcarbonitrilebenzenesulfonyl grouparyl chloride2-chlorophenolchlorobenzene4-chlorophenolbenzonitrilearyl halidearomatic homomonocyclic compound2-halophenolsulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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