| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:42 UTC |
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| Update Date | 2025-03-21 18:30:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083068 |
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| Frequency | 34.7 |
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| Structure | |
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| Chemical Formula | C6H5BrO5S |
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| Molecular Mass | 267.9041 |
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| SMILES | O=S(=O)(O)Oc1ccc(Br)cc1O |
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| InChI Key | KOFHPTLPFGBWNJ-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl bromidesbromobenzeneshalophenolshydrocarbon derivativesm-bromophenolsorganic oxidesorganobromidesorganooxygen compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoester1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundphenylsulfateorganic oxide3-bromophenol3-halophenolbromobenzene1-hydroxy-4-unsubstituted benzenoidaryl halidearomatic homomonocyclic compoundorganic oxygen compoundorganobromidesulfate-esterphenolhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundsulfuric acid esteraryl bromideorganooxygen compound |
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