| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:19 UTC |
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| Update Date | 2025-03-21 18:28:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070104 |
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| Frequency | 43.0 |
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| Structure | |
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| Chemical Formula | C12H7BrCl2O5S |
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| Molecular Mass | 411.8575 |
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| SMILES | O=S(=O)(O)Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Br |
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| InChI Key | WWSJKEMCKYOPFE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | diphenylethers |
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| Direct Parent | bromodiphenyl ethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl bromidesaryl chloridesbromobenzeneschlorobenzenesdiarylethershydrocarbon derivativesorganic oxidesorganobromidesorganochloridesphenol ethersphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | diaryl etherphenol ethersulfuric acid monoesteretherorganochloridebromodiphenyl etherorganohalogen compoundphenylsulfateorganic oxidearylsulfatearyl chloridechlorobenzeneorganic sulfuric acid or derivativesbromobenzenearyl halidearomatic homomonocyclic compoundorganic oxygen compoundorganobromidesulfate-esterhydrocarbon derivativehalobenzenephenoxy compoundsulfuric acid esteraryl bromideorganooxygen compound |
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