| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:56 UTC |
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| Update Date | 2025-03-21 18:34:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100342 |
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| Frequency | 27.3 |
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| Structure | |
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| Chemical Formula | C9H10O10S2 |
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| Molecular Mass | 341.9715 |
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| SMILES | O=C(CC(OS(=O)(=O)O)c1cccc(O)c1)OS(=O)(=O)O |
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| InChI Key | LSTZPIWVXCFEJM-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 | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesbenzene and substituted derivativescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalkyl sulfatesulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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