| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:56:50 UTC |
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| Update Date | 2025-03-21 18:05:05 UTC |
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| HMDB ID | HMDB0240454 |
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| Metabolite Identification |
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| DeepMet ID | DMID00054668 |
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| Name | 4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid 4'-sulfate |
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| Frequency | 58.8 |
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| Structure | |
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| Chemical Formula | C11H14O8S |
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| Molecular Mass | 306.0409 |
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| SMILES | O=C(O)CCC(O)Cc1ccc(OS(=O)(=O)O)c(O)c1 |
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| InChI Key | GSTPJGFSDIEVSY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | sulfated fatty acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessecondary alcoholssulfuric acid monoesters |
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| Substituents | carbocyclic fatty acidmonocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativemedium-chain hydroxy acidphenylsulfateorganic oxidemedium-chain fatty acidhydroxy fatty acidarylsulfatealcoholorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsulfated fatty acidsecondary alcoholsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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