| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:44 UTC |
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| Update Date | 2025-03-25 00:49:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177934 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10O6S |
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| Molecular Mass | 234.0198 |
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| SMILES | Cc1ccc(C(=O)O)c(O[SH](=O)(O)O)c1 |
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| InChI Key | PRZSRNUSTODAOJ-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenoxy compoundstoluenes |
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| Substituents | carboxylic acidbenzoylcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidphenoxy compoundtolueneorganooxygen compound |
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