| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:33:50 UTC |
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| Update Date | 2025-03-21 17:56:23 UTC |
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| HMDB ID | HMDB0124993 |
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| Metabolite Identification |
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| DeepMet ID | DMID00001071 |
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| Name | Protocatechuic acid 3-O-sulfate |
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| Frequency | 5400.5 |
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| Structure | |
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| Chemical Formula | C7H6O7S |
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| Molecular Mass | 233.9834 |
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| SMILES | O=C(O)c1ccc(O)c(OS(=O)(=O)O)c1 |
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| InChI Key | GSFKEOSQCKWCLH-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 benzenoidsbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativeshydroxybenzoic acid derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoic acid or derivativescarboxylic acid derivativehydroxybenzoic acidaromatic homomonocyclic compoundphenylsulfateorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidbenzoic acidphenoxy compoundsulfuric acid esterorganooxygen compound |
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