| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:33:00 UTC |
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| Update Date | 2025-03-21 19:57:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00280748 |
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| Frequency | 7.2 |
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| Structure | |
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| Chemical Formula | C15H11I4NO8S |
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| Molecular Mass | 872.6384 |
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| SMILES | NC(Cc1cc(I)c(Oc2cc(I)c(OS(=O)(=O)O)c(I)c2)c(I)c1O)C(=O)O |
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| InChI Key | ZQFJKCQANRSYDN-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 | alpha amino acidsamphetamines and derivativesaryl iodidescarbonyl compoundscarboxylic acidsdiarylethersdiphenylethershalophenolshydrocarbon derivativesiodobenzenesmonoalkylaminesmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsp-iodophenolsphenol ethersphenoxy compoundsphenylpropanoic acidsphenylsulfatessulfuric acid monoesters |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupethercarboxylic acid3-phenylpropanoic-acidorganohalogen compoundiodobenzene4-iodophenolorganoiodidephenylsulfateorganic oxide4-halophenolorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfateamphetamine or derivativesorganic sulfuric acid or derivatives2-iodophenolaryl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compoundsulfuric acid esterdiphenyletherorganooxygen compound |
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