| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:46 UTC |
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| Update Date | 2025-03-25 00:48:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166507 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO6S |
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| Molecular Mass | 259.0151 |
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| SMILES | CC(=O)Nc1ccccc1OS(=O)(=O)C(=O)O |
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| InChI Key | PSWSHZDMSUFMDL-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 | acetanilides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesacylsulfonic acids and derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-acetylarylaminesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidessulfonic acid esterssulfonylsthiolactones |
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| Substituents | carbonyl groupn-acetylarylaminen-arylamideorganosulfur compoundcarboxylic acid derivativesulfonic acid esterorganic oxideorganonitrogen compoundorganopnictogen compoundthiolactoneacetamidecarbonic acid derivativeacetanilideacylsulfonic acid or derivativescarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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