| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:37 UTC |
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| Update Date | 2025-03-21 18:00:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00028094 |
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| Frequency | 134.5 |
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| Structure | |
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| Chemical Formula | C9H11NO5S |
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| Molecular Mass | 245.0358 |
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| SMILES | COS(=O)(=O)Oc1ccccc1NC(C)=O |
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| InChI Key | ZAQDHXJACGPIBD-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 | acetamidesalkyl sulfatesarylsulfatescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidessulfuric acid diesters |
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| Substituents | carbonyl groupn-acetylarylaminen-arylamidecarboxylic acid derivativeorganic oxidesulfuric acid diesteralkyl sulfateorganonitrogen compoundorganopnictogen compoundarylsulfateacetamideorganic sulfuric acid or derivativesacetanilidecarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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