| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:35:07 UTC |
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| Update Date | 2025-03-21 17:56:52 UTC |
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| HMDB ID | HMDB0059981 |
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| Metabolite Identification |
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| DeepMet ID | DMID00004142 |
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| Name | 4-Hydroxy-5-(phenyl)-valeric acid-O-sulphate |
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| Frequency | 1368.0 |
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| Structure | |
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| Chemical Formula | C11H14O6S |
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| Molecular Mass | 274.0511 |
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| SMILES | O=C(CCC(O)Cc1ccccc1)OS(=O)(=O)O |
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| InChI Key | ZCVMPBGBUWWKNR-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 oxidessecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholmonocyclic benzene moietysulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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