| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:07 UTC |
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| Update Date | 2025-03-21 17:59:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00022296 |
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| Frequency | 178.1 |
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| Structure | |
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| Chemical Formula | C10H13NO6S |
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| Molecular Mass | 275.0464 |
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| SMILES | COc1cc(OS(=O)(=O)OC)ccc1NC(C)=O |
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| InChI Key | ONRGKTRZMIZUIP-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 aryl ethersalkyl sulfatesanisolesarylsulfatescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesn-acetylarylaminesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidessulfuric acid diesters |
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| Substituents | phenol ethercarbonyl groupethern-acetylarylaminen-arylamidealkyl aryl ethercarboxylic acid derivativeorganic oxidesulfuric acid diesteralkyl sulfateorganonitrogen compoundorganopnictogen compoundarylsulfateacetamideorganic sulfuric acid or derivativesacetanilidecarboxamide groupmethoxybenzenearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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