| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:23 UTC |
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| Update Date | 2025-03-25 00:51:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186209 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12O9S |
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| Molecular Mass | 308.0202 |
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| SMILES | O=C(CC(O)c1ccc(O)c(O)c1)C(O)OS(=O)(=O)O |
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| InChI Key | QODXKUUMGIYWIC-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 sulfatesalpha-hydroxy ketonesaromatic alcoholsbenzene and substituted derivativesbeta-hydroxy ketoneshydrocarbon derivativesorganic oxidessecondary alcoholssulfuric acid monoesters |
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| Substituents | aromatic alcoholalcoholbeta-hydroxy ketonemonocyclic benzene moietysulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalpha-hydroxy ketoneketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundalkyl sulfatesecondary alcoholsulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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