| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:56 UTC |
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| Update Date | 2025-03-21 18:06:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064380 |
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| Frequency | 47.8 |
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| Structure | |
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| Chemical Formula | C9H11NO7S |
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| Molecular Mass | 277.0256 |
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| SMILES | COc1cc(OS(=O)(=O)O)cc(O)c1NC(C)=O |
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| InChI Key | VHQKIVDIWDTLNC-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetamidesacetanilidesalkyl aryl ethersanisolescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsn-acetylarylaminesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupethern-acetylarylaminemethoxyphenol1-hydroxy-2-unsubstituted benzenoidn-arylamidealkyl aryl ethercarboxylic acid derivativephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundacetamideacetanilide1-hydroxy-4-unsubstituted benzenoidcarboxamide groupmethoxybenzenearomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundanisolesulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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