| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:54 UTC |
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| Update Date | 2025-03-25 00:47:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159977 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H7Cl2IO5S |
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| Molecular Mass | 459.8436 |
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| SMILES | O=S(=O)(O)Oc1ccccc1Oc1c(Cl)cc(Cl)cc1I |
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| InChI Key | LEUQFEHQBPXJIT-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 | aryl chloridesaryl iodidesdiarylethersdichlorobenzeneshydrocarbon derivativesiodobenzenesorganic oxidesorganochloridesorganoiodidesphenol ethersphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | diaryl etherphenol ethersulfuric acid monoesteretherorganochlorideorganohalogen compoundiodobenzeneorganoiodide1,3-dichlorobenzenephenylsulfateorganic oxidearylsulfatearyl chloridechlorobenzeneorganic sulfuric acid or derivativesaryl halidearomatic homomonocyclic compoundorganic oxygen compoundsulfate-esterhydrocarbon derivativearyl iodidehalobenzenephenoxy compoundsulfuric acid esterdiphenyletherorganooxygen compound |
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