| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:39 UTC |
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| Update Date | 2025-03-21 18:00:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00028196 |
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| Frequency | 133.9 |
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| Structure | |
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| Chemical Formula | C11H16O4S |
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| Molecular Mass | 244.0769 |
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| SMILES | COS(=O)(=O)Oc1cc(C)ccc1C(C)C |
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| InChI Key | AOZIOHNSZSWZOV-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 sulfatesarylsulfatescumeneshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxidesorganooxygen compoundsphenoxy compoundsphenylpropanessulfuric acid diesterstoluenes |
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| Substituents | monocyclic benzene moietymonocyclic monoterpenoidorganic sulfuric acid or derivativesp-cymenephenylpropanearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundsulfuric acid diesteralkyl sulfatecumenehydrocarbon derivativearylsulfatebenzenoidphenoxy compoundsulfuric acid estertolueneorganooxygen compoundaromatic monoterpenoid |
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