| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:44:09 UTC |
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| Update Date | 2025-03-21 18:00:01 UTC |
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| HMDB ID | HMDB0130454 |
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| Metabolite Identification |
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| DeepMet ID | DMID00024650 |
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| Name | 2-[3,5-dihydroxy-4-(sulfooxy)phenyl]acetic acid |
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| Frequency | 157.8 |
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| Structure | |
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| Chemical Formula | C8H8O8S |
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| Molecular Mass | 263.994 |
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| SMILES | O=C(O)Cc1cc(O)c(OS(=O)(=O)O)c(O)c1 |
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| InChI Key | JTPFIQXRTGHBGW-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 benzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsresorcinolssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativeresorcinolaromatic homomonocyclic compoundphenylsulfateorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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