| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:12:57 UTC |
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| Update Date | 2025-03-24 21:58:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01949894 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C21H23I4N2O5+ |
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| Molecular Mass | 890.778 |
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| SMILES | C[N+](C)(C)C(Cc1cc(I)c(Oc2c(I)cc(CC(N)C(=O)O)cc2I)c(I)c1)C(=O)O |
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| InChI Key | UAEAFNIUTHPYSN-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 | alpha amino acidsaminesamphetamines and derivativesaryl iodidescarbonyl compoundscarboxylic acidsdiarylethersdicarboxylic acids and derivativesdiphenylethershydrocarbon derivativesiodobenzenesmonoalkylaminesorganic cationsorganic oxidesorganic saltsorganoiodidesorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acidstetraalkylammonium salts |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidorganohalogen compoundiodobenzeneorganoiodideorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltamphetamine or derivativestetraalkylammonium saltquaternary ammonium saltaryl halidearomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletheramineorganooxygen compound |
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