| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:11:11 UTC |
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| Update Date | 2025-03-24 22:34:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01230732 |
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| Frequency | 1.1 |
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| Structure | |
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| Chemical Formula | C19H15I4NO7 |
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| Molecular Mass | 876.7027 |
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| SMILES | NC(Cc1cc(I)c(Oc2cc(I)c(CC(C(=O)O)C(=O)O)cc2I)c(I)c1)C(=O)O |
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| InChI Key | OQIOHAGCZXHFPA-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 | 1,3-dicarbonyl compoundsalpha amino acidsamphetamines and derivativesaryl iodidescarboxylic acidsdiarylethersdiphenylethershydrocarbon derivativesiodobenzenesmonoalkylaminesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acidstricarboxylic acids and derivatives |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidtricarboxylic acid or derivativesorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesaryl halidearomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compound1,3-dicarbonyl compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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