| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:03:59 UTC |
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| Update Date | 2025-03-24 14:10:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00780049 |
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| Frequency | 1.9 |
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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 | COC(=O)C(N)Cc1cc(I)c(Oc2cc(I)c(OS(=O)(=O)O)c(I)c2)c(I)c1 |
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| InChI Key | SOHGVKBTUUXVMT-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 acid estersalpha amino acidsamphetamines and derivativesaryl iodidescarbonyl compoundsdiarylethersdiphenylethersfatty acid estershydrocarbon derivativesiodobenzenesmethyl estersmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | diaryl etherfatty acylphenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupetherorganohalogen compoundiodobenzeneorganoiodidephenylsulfateorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfateamphetamine or derivativesorganic sulfuric acid or derivativesalpha-amino acid esteraryl halidearomatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundcarboxylic acid estersulfate-esterhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compoundsulfuric acid esterdiphenyletherorganooxygen compound |
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