| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:38 UTC |
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| Update Date | 2025-03-25 00:47:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161582 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13I2NO4S |
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| Molecular Mass | 544.8655 |
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| SMILES | NCCc1ccc(Oc2ccc(S(=O)(=O)O)c(I)c2)c(I)c1 |
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| InChI Key | RAOUIWCCDFCHBM-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 iodidesarylsulfonic acids and derivativesbenzenesulfonic acids and derivativesbenzenesulfonyl compoundsdiarylethershydrocarbon derivativesiodobenzenesmonoalkylaminesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidsphenol ethersphenoxy compoundssulfonyls |
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| Substituents | diaryl etherphenol etherorganosulfonic acid or derivativesetherorganosulfonic acidbenzenesulfonateorganosulfur compoundorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl group1-sulfo,2-unsubstituted aromatic compoundaryl halidearomatic homomonocyclic compoundsulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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