| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:05 UTC |
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| Update Date | 2025-03-21 18:33:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098297 |
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| Frequency | 28.0 |
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| Structure | |
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| Chemical Formula | C11H14O6S |
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| Molecular Mass | 274.0511 |
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| SMILES | CC(C)(C)c1cc(C(=O)OS(=O)(=O)O)ccc1O |
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| InChI Key | SHHITWDOFJVQRN-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 and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenylpropanessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoic acid or derivativescarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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