| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:06 UTC |
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| Update Date | 2025-03-25 01:02:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02254138 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H22O3S |
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| Molecular Mass | 318.129 |
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| SMILES | CC(C)c1ccc(C(C)C)c(OS(=O)(=O)c2ccccc2)c1 |
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| InChI Key | PUYRIRHHRMSOIX-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 | benzene and substituted derivatives |
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| Subclass | benzenesulfonic acids and derivatives |
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| Direct Parent | benzenesulfonate esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aromatic monoterpenoidsarylsulfonic acids and derivativesbenzenesulfonyl compoundscumeneshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxidesorganooxygen compoundsorganosulfonic acid estersphenoxy compoundsphenylpropanessulfonyls |
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| Substituents | monoterpenoidorganosulfonic acid or derivativesbenzenesulfonate estermonocyclic monoterpenoidp-cymeneorganosulfur compoundorganosulfonic acid esterphenylpropanearomatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativescumenehydrocarbon derivativephenoxy compoundorganooxygen compoundaromatic monoterpenoidbenzenesulfonyl group |
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