| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:05 UTC |
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| Update Date | 2025-03-21 18:41:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132031 |
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| Frequency | 19.1 |
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| Structure | |
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| Chemical Formula | C18H20I2NO4+ |
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| Molecular Mass | 567.9476 |
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| SMILES | C[N+](C)(C)C(Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1)C(=O)O |
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| InChI Key | HXGBQOUAOJDUND-UHFFFAOYSA-O |
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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 acidsaminesamphetamines and derivativesaryl iodidescarbonyl compoundscarboxylic acidsdiarylethersdiphenylethershydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganoiodidesorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acidstetraalkylammonium salts |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzeneorganoiodideorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltamphetamine or derivativestetraalkylammonium saltquaternary ammonium saltaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidaryl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletheramineorganooxygen compound |
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