| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:17 UTC |
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| Update Date | 2025-03-25 00:57:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222825 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H5BrO5S |
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| Molecular Mass | 279.9041 |
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| SMILES | O=Cc1ccc(OS(=O)(=O)O)c(Br)c1 |
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| InChI Key | AKFBBXYCINFPTH-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 bromidesbenzaldehydesbenzoyl derivativesbromobenzeneshydrocarbon derivativesorganic oxidesorganobromidesorganooxygen compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterbenzoylorganohalogen compoundphenylsulfateorganic oxidearyl-aldehydebromobenzenealdehydearyl halidearomatic homomonocyclic compoundbenzaldehydeorganic oxygen compoundorganobromidesulfate-esterhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundsulfuric acid esteraryl bromideorganooxygen compound |
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