| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:27 UTC |
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| Update Date | 2025-03-21 18:03:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046867 |
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| Frequency | 71.2 |
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| Structure | |
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| Chemical Formula | C8H9ClN2O4S |
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| Molecular Mass | 263.9972 |
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| SMILES | CC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1O |
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| InChI Key | MFXHOFFQVTUPRM-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 | anilides |
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| Direct Parent | m-haloacetanilides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetamidesaminosulfonyl compoundsaryl chloridesbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acids and derivativeschlorobenzeneshalophenolshydrocarbon derivativesn-acetylarylaminesorganic oxidesorganochloridesorganopnictogen compoundsorganosulfonamidesp-chlorophenolssecondary carboxylic acid amides |
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| Substituents | organosulfonic acid or derivativescarbonyl groupn-acetylarylamineorganochloride1-hydroxy-2-unsubstituted benzenoidn-arylamideorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amideorganic oxide4-halophenolorganonitrogen compoundorganopnictogen compoundacetamidebenzenesulfonyl grouparyl chloridechlorobenzenebenzenesulfonamideaminosulfonyl compound4-chlorophenolcarboxamide grouparyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundhalobenzenem-haloacetanilideorganooxygen compound |
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