| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:56 UTC |
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| Update Date | 2025-03-25 00:48:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166914 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13BrO4S |
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| Molecular Mass | 307.9718 |
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| SMILES | CC(C)(C)c1cc(Br)ccc1OS(=O)(=O)O |
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| InChI Key | ZKLCUDYXMCKGJJ-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 | aryl bromidesbromobenzeneshydrocarbon derivativesorganic oxidesorganobromidesorganooxygen compoundsphenoxy compoundsphenylpropanessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterbromobenzeneorganohalogen compoundaryl halidephenylpropanearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundorganobromidesulfate-esterhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundsulfuric acid esteraryl bromideorganooxygen compound |
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