| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:41:40 UTC |
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| Update Date | 2025-03-25 00:23:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01303448 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C16H13I4NO7S |
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| Molecular Mass | 870.6592 |
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| SMILES | NC(Cc1cc(I)c(Oc2cc(I)c(OCS(=O)(=O)O)c(I)c2)c(I)c1)C(=O)O |
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| InChI Key | VXWAEIKHOJAAPL-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 derivativesiodobenzenesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidsphenol ethersphenoxy compoundsphenylpropanoic acidssulfonyls |
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| Substituents | diaryl etherphenol etherorganosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidorganosulfonic acidorganosulfur compoundorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylphenylalanine or derivativesorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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