| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:12 UTC |
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| Update Date | 2025-03-21 18:01:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034216 |
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| Frequency | 105.3 |
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| Structure | |
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| Chemical Formula | C8H8ClNO5S |
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| Molecular Mass | 264.9812 |
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| SMILES | CC(=O)Nc1cc(Cl)ccc1OS(=O)(=O)O |
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| InChI Key | WQOADLOCMITMJP-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 | acetamidesaryl chloridescarbonyl compoundscarboxylic acids and derivativeschlorobenzeneshydrocarbon derivativesn-acetylarylaminesorganic oxidesorganochloridesorganopnictogen compoundsphenoxy compoundsphenylsulfatessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupn-acetylarylamineorganochloriden-arylamidecarboxylic acid derivativeorganohalogen compoundphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfateacetamidearyl chloridechlorobenzeneorganic sulfuric acid or derivativescarboxamide grouparyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compoundsulfuric acid esterm-haloacetanilideorganooxygen compound |
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