| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:22 UTC |
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| Update Date | 2025-03-25 00:55:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211437 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12ClNO4S |
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| Molecular Mass | 277.0176 |
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| SMILES | CC(=O)NCCS(=O)(=O)c1ccc(O)c(Cl)c1 |
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| InChI Key | PTILLVNNYYWQBP-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 | benzenesulfonyl compounds |
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| Direct Parent | benzenesulfonyl compounds |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetamidesaryl chloridescarbonyl compoundscarboxylic acids and derivativeschlorobenzeneshalophenolshydrocarbon derivativeso-chlorophenolsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfones |
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| Substituents | carbonyl grouporganochloride1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidebenzenesulfonyl grouparyl chloride2-chlorophenolchlorobenzenecarboxamide grouparyl halidearomatic homomonocyclic compound2-halophenolsecondary carboxylic acid amidesulfonylorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compoundsulfone |
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