| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:49 UTC |
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| Update Date | 2025-03-21 18:34:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100038 |
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| Frequency | 27.4 |
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| Structure | |
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| Chemical Formula | C16H15I2NO4 |
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| Molecular Mass | 538.9091 |
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| SMILES | Cc1cc(Oc2c(I)cc(CC(N)C(=O)O)cc2I)ccc1O |
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| InChI Key | HYJPABWHKVJCIP-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 | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativesaryl iodidescarbonyl compoundscarboxylic acidsdiarylethersdiphenylethershydrocarbon derivativesiodobenzenesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsortho cresolsphenol ethersphenoxy compoundsphenylpropanoic acidstoluenes |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzeneorganoiodideorganic oxideo-cresolorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compoundtoluenediphenyletherorganooxygen compound |
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