| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:58 UTC |
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| Update Date | 2025-03-21 18:29:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076476 |
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| Frequency | 38.5 |
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| Structure | |
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| Chemical Formula | C10H11NO7S |
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| Molecular Mass | 289.0256 |
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| SMILES | CC(=O)Nc1ccc(OS(=O)(=O)O)cc1OC(C)=O |
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| InChI Key | NWFTUTWRTSYAJO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | phenylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesacetanilidescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsphenol estersphenoxy compoundssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupn-acetylarylaminen-arylamidecarboxylic acid derivativephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundacetamideacetanilidecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenol estersulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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