| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:09 UTC |
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| Update Date | 2025-03-21 18:33:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098449 |
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| Frequency | 27.9 |
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| Structure | |
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| Chemical Formula | C14H13NO6S |
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| Molecular Mass | 323.0464 |
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| SMILES | NC(=O)Cc1ccc(Oc2ccccc2OS(=O)(=O)O)cc1 |
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| InChI Key | AYEMZDQPHHEBLM-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 | diphenylethers |
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| Direct Parent | diphenylethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acids and derivativesdiarylethershydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylacetamidesphenylsulfatesprimary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | primary carboxylic acid amidediaryl etherphenol ethersulfuric acid monoestercarbonyl groupethercarboxylic acid derivativephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfatephenylacetamideorganic sulfuric acid or derivativescarboxamide grouparomatic homomonocyclic compoundorganic oxygen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundsulfuric acid esterdiphenyletherorganooxygen compound |
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