| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:23 UTC |
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| Update Date | 2025-03-25 00:45:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149684 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18O10S |
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| Molecular Mass | 414.0621 |
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| SMILES | O=C(CCC(Cc1ccc(O)c(O)c1)Oc1cc(O)cc(O)c1)OS(=O)(=O)O |
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| InChI Key | JMXMCPSGYFOLEO-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 | benzenediols |
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| Direct Parent | resorcinols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl etherscarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenol ethersphenoxy compoundssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupetherorganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeresorcinolaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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