| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:25:38 UTC |
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| Update Date | 2025-03-24 20:19:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01408435 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C20H18I4N2O10S |
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| Molecular Mass | 985.6861 |
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| SMILES | NC(CCC(=O)NC(Cc1cc(I)c(Oc2cc(I)c(OS(=O)(=O)O)c(I)c2)c(I)c1)C(=O)O)C(=O)O |
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| InChI Key | VIKNNNREVSCJLB-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 | dipeptides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamphetamines and derivativesaryl iodidescarbonyl compoundscarboxylic acidsdiarylethersdicarboxylic acids and derivativesdiphenylethersglutamine and derivativeshydrocarbon derivativesiodobenzenesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylalanine and derivativesphenylpropanoic acidsphenylsulfatessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | diaryl etherfatty acylphenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupethercarboxylic acidglutamine or derivatives3-phenylpropanoic-acidfatty amidealpha-amino acid or derivativesorganohalogen compoundiodobenzeneorganoiodidephenylsulfateorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfateamphetamine or derivativesn-acyl-alpha amino acid or derivativesorganic sulfuric acid or derivativesn-acyl-alpha-amino acidcarboxamide groupn-acyl-aminearyl halidearomatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amidephenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativessulfate-esterhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compoundsulfuric acid esterdiphenyletherorganooxygen compound |
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