| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:11 UTC |
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| Update Date | 2025-03-21 18:01:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034161 |
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| Frequency | 105.5 |
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| Structure | |
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| Chemical Formula | C15H10I5NO4 |
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| Molecular Mass | 902.5833 |
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| SMILES | NC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2I)c(I)c1)C(=O)O |
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| InChI Key | MBTVULQVWIJBEU-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 | alpha amino acidsamphetamines and derivativesaryl iodidescarbonyl compoundscarboxylic acidsdiarylethersdiphenylethershalophenolshydrocarbon derivativesiodobenzenesm-iodophenolsmonoalkylaminesmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acids |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivatives3-halophenol2-iodophenolaryl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compound3-iodophenoldiphenyletherorganooxygen compound |
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