| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:01 UTC |
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| Update Date | 2025-03-25 00:53:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198999 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17NO7S |
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| Molecular Mass | 367.0726 |
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| SMILES | NC(=O)Cc1ccc(OCC(OS(=O)(=O)O)c2ccc(O)cc2)cc1 |
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| InChI Key | DXCPGIFCNROZIL-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 | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalkyl 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 groupether1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxidealkyl sulfateorganonitrogen compoundorganopnictogen compoundphenylacetamideorganic sulfuric acid or derivativescarboxamide grouparomatic homomonocyclic compoundorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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