| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:39 UTC |
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| Update Date | 2025-03-25 00:54:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205036 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H8Cl2O8S2 |
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| Molecular Mass | 413.9038 |
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| SMILES | O=S(=O)(O)Oc1cc(Cl)ccc1Oc1ccc(S(=O)(=O)O)cc1Cl |
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| InChI Key | XEJTZNDPRJYBRC-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 | diphenylethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsaryl chloridesarylsulfonic acids and derivativesbenzenesulfonic acids and derivativesbenzenesulfonyl compoundschlorobenzenesdiarylethershydrocarbon derivativesorganic oxidesorganochloridesorganosulfonic acidsphenol ethersphenoxy compoundsphenylsulfatessulfonylssulfuric acid monoesters |
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| Substituents | diaryl etherphenol etherorganosulfonic acid or derivativessulfuric acid monoesteretherorganochlorideorganosulfonic acidbenzenesulfonateorganosulfur compoundorganohalogen compoundphenylsulfateorganic oxidearylsulfatebenzenesulfonyl grouparyl chloridechlorobenzeneorganic sulfuric acid or derivatives1-sulfo,2-unsubstituted aromatic compoundaryl halidearomatic homomonocyclic compoundsulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativessulfate-esterhydrocarbon derivativehalobenzenephenoxy compoundsulfuric acid esterdiphenyletherorganooxygen compound |
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