| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:02 UTC |
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| Update Date | 2025-03-25 00:50:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183128 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H8I2O5S |
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| Molecular Mass | 517.8182 |
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| SMILES | O=S(=O)(O)c1cc(I)c(Oc2ccc(O)cc2)cc1I |
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| InChI Key | FNBWPQRNCVQMKR-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-hydroxy-2-unsubstituted benzenoids1-sulfo,2-unsubstituted aromatic compoundsaryl iodidesarylsulfonic acids and derivativesbenzenesulfonic acids and derivativesbenzenesulfonyl compoundsdiarylethershydrocarbon derivativesiodobenzenesorganic oxidesorganoiodidesorganosulfonic acidsphenol ethersphenoxy compoundssulfonyls |
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| Substituents | diaryl etherphenol etherorganosulfonic acid or derivativesetherorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidbenzenesulfonateorganosulfur compoundorganohalogen compoundiodobenzeneorganoiodideorganic oxidebenzenesulfonyl group1-sulfo,2-unsubstituted aromatic compoundaryl halidearomatic homomonocyclic compoundsulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesphenolhydrocarbon derivativearyl iodidehalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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