| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:36:38 UTC |
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| Update Date | 2025-03-21 17:57:24 UTC |
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| HMDB ID | HMDB0126639 |
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| Metabolite Identification |
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| DeepMet ID | DMID00007612 |
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| Name | 3,5-dihydroxy-4-(sulfooxy)benzoic acid |
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| Frequency | 659.4 |
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| Structure | |
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| Chemical Formula | C7H6O8S |
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| Molecular Mass | 249.9783 |
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| SMILES | O=C(O)c1cc(O)c(OS(=O)(=O)O)c(O)c1 |
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| InChI Key | DMNOQQUULVKPTE-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 benzenoidsbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativeshydroxybenzoic acid derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenoxy compoundsresorcinolssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeresorcinolphenylsulfateorganic oxidebenzoic acidbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidhydroxybenzoic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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