| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:00 UTC |
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| Update Date | 2025-03-25 01:01:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249373 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10ClNO6S |
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| Molecular Mass | 294.9917 |
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| SMILES | COc1cc(NC(C)=O)cc(Cl)c1OS(=O)(=O)O |
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| InChI Key | CBKXCAQXXPVPNA-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 | acetamidesalkyl aryl ethersanisolesaryl chloridescarbonyl compoundscarboxylic acids and derivativeschlorobenzeneshydrocarbon derivativesmethoxybenzenesn-acetylarylaminesorganic oxidesorganochloridesorganopnictogen compoundsphenoxy compoundsphenylsulfatessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoestercarbonyl groupethern-acetylarylamineorganochloriden-arylamidealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfateacetamidearyl chloridechlorobenzeneorganic sulfuric acid or derivativescarboxamide groupmethoxybenzenearyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compoundsulfuric acid esterm-haloacetanilideorganooxygen compound |
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