| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:30 UTC |
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| Update Date | 2025-03-21 18:35:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106679 |
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| Frequency | 25.2 |
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| Structure | |
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| Chemical Formula | C16H13I4NO4 |
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| Molecular Mass | 790.7024 |
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| SMILES | CNC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O |
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| InChI Key | SKPGKNUUUCJGTA-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 acidsamino acidsamphetamines and derivativesaryl iodidescarbonyl compoundscarboxylic acidsdialkylaminesdiarylethersdiphenylethershalophenolshydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodidesorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acids |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidamino acidorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativessecondary aliphatic amine2-iodophenolsecondary aminearyl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidaryl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compoundamine |
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