| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:05 UTC |
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| Update Date | 2025-03-21 18:00:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00026858 |
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| Frequency | 141.9 |
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| Structure | |
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| Chemical Formula | C6H4Br2O4S |
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| Molecular Mass | 329.8197 |
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| SMILES | O=S(=O)(O)Oc1ccc(Br)cc1Br |
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| InChI Key | QEHDRKHRMHDDQB-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 compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterbromobenzeneorganohalogen compoundaryl halidearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundorganobromidesulfate-esterhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundsulfuric acid esteraryl bromideorganooxygen compound |
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