| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:52 UTC |
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| Update Date | 2025-03-21 18:39:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124333 |
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| Frequency | 20.7 |
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| Structure | |
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| Chemical Formula | C14H14INO3 |
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| Molecular Mass | 371.0018 |
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| SMILES | NCCc1cc(O)c(Oc2ccc(O)cc2)c(I)c1 |
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| InChI Key | LSRNHDRRRKSVKM-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 iodidesdiarylethershalophenolshydrocarbon derivativesiodobenzenesm-iodophenolsmonoalkylaminesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compounds |
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| Substituents | diaryl etherphenol etherether1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzeneorganoiodideorganonitrogen compoundorganopnictogen compound3-halophenol1-hydroxy-4-unsubstituted benzenoidaryl halidearomatic homomonocyclic compoundorganic oxygen compoundphenolhydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compound3-iodophenoldiphenyletherorganooxygen compound |
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