| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:26 UTC |
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| Update Date | 2025-03-25 00:54:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204553 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H10I3NO5 |
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| Molecular Mass | 664.7693 |
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| SMILES | O=NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O |
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| InChI Key | DBTVFMXMDZWVLV-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 iodidesc-nitroso compoundscarbonyl compoundscarboxylic acidsdiarylethersdiphenylethershalophenolshydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodidesorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acidspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzeneorganoiodidepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesorganic nitroso compound2-iodophenolorganic 1,3-dipolar compoundaryl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolc-nitroso compoundhydrocarbon derivativebenzenoidaryl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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