| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:42 UTC |
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| Update Date | 2025-03-21 17:58:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00016877 |
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| Frequency | 251.9 |
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| Structure | |
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| Chemical Formula | C11H16O3S |
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| Molecular Mass | 228.082 |
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| SMILES | Cc1ccc(C(C)C)c(OS(C)(=O)=O)c1 |
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| InChI Key | BGBNNCGFAZYOBF-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 | cumeneshydrocarbon derivativesmethanesulfonatesmonocyclic monoterpenoidsorganic oxidesorganooxygen compoundsorganosulfonic acid estersphenoxy compoundsphenylpropanessulfonic acid esterssulfonylstoluenes |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietymonocyclic monoterpenoidp-cymeneorganosulfur compoundorganosulfonic acid esterphenylpropanearomatic homomonocyclic compoundsulfonic acid estermethanesulfonateorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativescumenehydrocarbon derivativebenzenoidphenoxy compoundtolueneorganooxygen compoundaromatic monoterpenoid |
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