| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:24 UTC |
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| Update Date | 2025-03-25 01:01:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248050 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13NO7S |
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| Molecular Mass | 291.0413 |
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| SMILES | NC(=O)Cc1ccc(OCOCOS(=O)(=O)O)cc1 |
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| InChI Key | UBJNKFZTUQKLIW-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 | phenylacetamides |
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| Direct Parent | phenylacetamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetalsalkyl sulfatescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsprimary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | primary carboxylic acid amidephenol ethersulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativescarboxamide groupcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundacetalalkyl sulfateorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundsulfuric acid esterphenylacetamideorganooxygen compound |
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