| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 17:20:21 UTC |
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| Update Date | 2025-03-25 01:48:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02526165 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H16I5NO6 |
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| Molecular Mass | 1036.6201 |
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| SMILES | CC(=O)NC(Cc1cc(I)c(Oc2cc(I)c(Oc3ccc(O)c(I)c3)c(I)c2)c(I)c1)C(=O)O |
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| InChI Key | YABKBJWYVFCYRQ-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 benzenoidsacetamidesalpha amino acidsamphetamines and derivativesaryl iodidescarbonyl compoundscarboxylic acidsdiarylethersdiphenylethershalophenolshydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativesn-acyl-alpha amino acidso-iodophenolsorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acidssecondary carboxylic acid amides |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamideamphetamine or derivativesn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acid2-iodophenolcarboxamide grouparyl halidearomatic homomonocyclic compound2-halophenolsecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidaryl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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