| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:31 UTC |
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| Update Date | 2025-03-21 18:06:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063371 |
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| Frequency | 48.7 |
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| Structure | |
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| Chemical Formula | C12H16I2NO3+ |
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| Molecular Mass | 475.9214 |
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| SMILES | C[N+](C)(C)C(Cc1cc(I)c(O)c(I)c1)C(=O)O |
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| InChI Key | UNHBUPMPUJBNCA-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 | tyrosine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaminesamphetamines and derivativesaryl iodidescarbonyl compoundscarboxylic acidshalophenolshydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativeso-iodophenolsorganic cationsorganic oxidesorganic saltsorganoiodidesorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidstetraalkylammonium salts |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganohalogen compoundiodobenzeneorganoiodideorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltamphetamine or derivativestyrosine or derivativestetraalkylammonium saltquaternary ammonium salt2-iodophenolaryl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidaryl iodideorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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