| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:09 UTC |
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| Update Date | 2025-03-21 18:33:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095964 |
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| Frequency | 28.8 |
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| Structure | |
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| Chemical Formula | C11H14O6S |
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| Molecular Mass | 274.0511 |
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| SMILES | CC(C)(C)c1cc(C(=O)O)ccc1OS(=O)(=O)O |
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| InChI Key | QUKPMGNUSLTZGZ-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 | benzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenoxy compoundsphenylpropanessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarboxylic acidbenzoylbenzoic acid or derivativescarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundphenylsulfateorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidbenzoic acidphenoxy compoundsulfuric acid esterorganooxygen compound |
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