| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:44 UTC |
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| Update Date | 2025-03-21 18:06:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063873 |
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| Frequency | 48.2 |
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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 | CCc1ccc(OS(=O)(=O)O)c(C(C)C)c1 |
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| InChI Key | HUMBKIOTJBKBFI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | phenylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | cumeneshydrocarbon derivativesorganic oxidesorganooxygen compoundsphenoxy compoundsphenylpropanessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterphenylpropanearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundsulfate-estercumenehydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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