| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:13 UTC |
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| Update Date | 2025-03-21 18:05:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055559 |
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| Frequency | 57.6 |
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| Structure | |
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| Chemical Formula | C16H13I4NO6S |
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| Molecular Mass | 854.6642 |
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| SMILES | CS(=O)(=O)Oc1c(I)cc(Oc2c(I)cc(CC(N)C(=O)O)cc2I)cc1I |
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| InChI Key | KCJRLTLVHJPBAN-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 acidsdiarylethersdiphenylethershydrocarbon derivativesiodobenzenesmethanesulfonatesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acid estersphenol ethersphenoxy compoundsphenylpropanoic acidssulfonic acid esterssulfonyls |
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| Substituents | diaryl etherphenol etherorganosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidorganosulfur compoundorganohalogen compoundiodobenzeneorganoiodidesulfonic acid esterorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesorganosulfonic acid esteraryl halidearomatic homomonocyclic compoundmethanesulfonatemonocarboxylic acid or derivativessulfonylphenylalanine or derivativesorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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