| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:07 UTC |
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| Update Date | 2025-03-21 18:05:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060081 |
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| Frequency | 52.2 |
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| Structure | |
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| Chemical Formula | C15H11I4NO4 |
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| Molecular Mass | 776.6867 |
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| SMILES | NC(Cc1cc(I)c(Oc2cc(I)c(I)cc2O)c(I)c1)C(=O)O |
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| InChI Key | UKQQINHOFSIAEQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativesaryl iodidescarbonyl compoundscarboxylic acidsdiarylethersdiphenylethershalophenolshydrocarbon derivativesiodobenzenesm-iodophenolsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsp-iodophenolsphenol ethersphenoxy compoundsphenylpropanoic acids |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzene4-iodophenolorganoiodideorganic oxide4-halophenolorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivatives3-halophenolaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compound3-iodophenoldiphenyletherorganooxygen compound |
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