| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:58:44 UTC |
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| Update Date | 2025-03-24 21:52:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01916523 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C21H15I4NO7S |
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| Molecular Mass | 932.6748 |
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| SMILES | NC(Cc1cc(I)c(Oc2cc(I)c(OS(=O)(=O)c3ccc(O)cc3)c(I)c2)c(I)c1)C(=O)O |
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| InChI Key | FLMWBNQKQIAOMD-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 iodidesarylsulfonic acids and derivativesbenzenesulfonate estersbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidsdiarylethersdiphenylethershydrocarbon derivativesiodobenzenesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acid estersphenol ethersphenoxy compoundsphenylpropanoic acidssulfonyls |
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| Substituents | diaryl etherphenol etherorganosulfonic acid or derivativesmonocyclic benzene moietybenzenesulfonate estercarbonyl groupethercarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidbenzenesulfonateorganosulfur compoundorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesbenzenesulfonyl grouporganosulfonic acid esteraryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylphenylalanine or derivativesorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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