| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:57:42 UTC |
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| Update Date | 2025-03-24 21:25:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01772213 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C16H13I4NO8S |
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| Molecular Mass | 886.6541 |
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| SMILES | NC(Cc1cc(I)c(Oc2cc(I)c(OCOS(=O)(=O)O)cc2I)c(I)c1)C(=O)O |
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| InChI Key | IJEZLUTVAYIIBU-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 | alkyl sulfatesalpha amino acidsamphetamines and derivativesaryl iodidescarbonyl compoundscarboxylic acidsdiarylethersdiphenylethershydrocarbon derivativesiodobenzenesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acidssulfuric acid monoesters |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupethercarboxylic acid3-phenylpropanoic-acidorganohalogen compoundiodobenzeneorganoiodideorganic oxidealkyl sulfateorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesorganic sulfuric acid or derivativesaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compoundsulfuric acid esterdiphenyletherorganooxygen compound |
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