| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:23 UTC |
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| Update Date | 2025-03-21 18:01:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032261 |
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| Frequency | 113.3 |
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| Structure | |
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| Chemical Formula | C13H18O5S |
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| Molecular Mass | 286.0875 |
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| SMILES | CC(C)Cc1ccc(C(C)C(=O)OS(=O)(=O)O)cc1 |
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| InChI Key | CAKPYUWCGIZEGS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | prenol lipids |
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| Subclass | monoterpenoids |
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| Direct Parent | aromatic monoterpenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesphenylpropanessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupmonocyclic monoterpenoidorganic sulfuric acid or derivativesp-cymenecarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compoundaromatic monoterpenoid |
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