| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:40:27 UTC |
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| Update Date | 2025-03-21 17:58:44 UTC |
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| HMDB ID | HMDB0059983 |
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| Metabolite Identification |
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| DeepMet ID | DMID00016381 |
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| Name | 4-phenylbutanic acid-O-sulphate |
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| Frequency | 261.0 |
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| Structure | |
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| Chemical Formula | C10H12O5S |
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| Molecular Mass | 244.0405 |
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| SMILES | O=C(CCCc1ccccc1)OS(=O)(=O)O |
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| InChI Key | QSAHCHSSSJBMMN-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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