| Record Information |
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| HMDB Status | predicted |
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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 | HMDB0125450 |
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| Metabolite Identification |
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| DeepMet ID | DMID00016369 |
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| Name | 3-[4-hydroxy-3-(sulfooxy)phenyl]-2-oxopropanoic acid |
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| Frequency | 261.1 |
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| Structure | |
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| Chemical Formula | C9H8O8S |
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| Molecular Mass | 275.994 |
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| SMILES | O=C(O)C(=O)Cc1ccc(O)c(OS(=O)(=O)O)c1 |
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| InChI Key | OYGZUDCFIYVFLR-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 | phenylpyruvic acid derivatives |
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| Direct Parent | phenylpyruvic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylpropanoic acidsphenylsulfatessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidalpha-hydroxy ketonecarboxylic acid derivativeketonephenylsulfateorganic oxidealpha-keto acidarylsulfateorganic sulfuric acid or derivativesphenylpyruvatearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidsulfate-esterphenolhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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