| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:08 UTC |
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| Update Date | 2025-03-25 01:01:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249679 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18O4S |
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| Molecular Mass | 258.0926 |
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| SMILES | Cc1ccc(C(C)C)c(COS(=O)(=O)O)c1C |
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| InChI Key | DEBYQLQAEGSILG-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 | alkyl sulfatescumeneshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxidesorganooxygen compoundsphenylpropanessulfuric acid monoesterso-xylenes |
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| Substituents | monocyclic benzene moietysulfuric acid monoestermonocyclic monoterpenoidorganic sulfuric acid or derivativesp-cymenephenylpropanearomatic homomonocyclic compoundxyleneorganic oxideo-xyleneorganic oxygen compoundalkyl sulfatesulfate-estercumenehydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compoundaromatic monoterpenoid |
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