| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:20 UTC |
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| Update Date | 2025-03-25 01:01:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252438 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13I2NO6S |
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| Molecular Mass | 576.8553 |
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| SMILES | NCCc1cc(I)c(Oc2ccc(OS(=O)(=O)O)c(O)c2)c(I)c1 |
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| InChI Key | MOCOSFFYGBWPIX-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-hydroxy-4-unsubstituted benzenoidsaryl iodidesdiarylethershydrocarbon derivativesiodobenzenesmonoalkylaminesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | diaryl etherphenol ethersulfuric acid monoesterether1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzeneorganoiodidephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfateorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidaryl halidearomatic homomonocyclic compoundorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compoundsulfuric acid esterdiphenyletherorganooxygen compound |
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