| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:44:04 UTC |
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| Update Date | 2025-03-24 21:45:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01881923 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C18H13I4NO10S |
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| Molecular Mass | 942.6439 |
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| SMILES | O=C(O)CC(NC(=O)Cc1cc(I)c(Oc2cc(I)c(OS(=O)(=O)O)c(I)c2)c(I)c1)C(=O)O |
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| InChI Key | KMSDPXPQHLCRMI-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaryl iodidescarbonyl compoundscarboxylic acidsdiarylethersdicarboxylic acids and derivativesdiphenylethershydrocarbon derivativesiodobenzenesn-acyl-alpha amino acidsorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylacetamidesphenylsulfatessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupethercarboxylic acidorganohalogen compoundiodobenzeneorganoiodidephenylsulfateorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfatephenylacetamiden-acyl-alpha amino acid or derivativesorganic sulfuric acid or derivativesn-acyl-alpha-amino acidcarboxamide grouparyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativebenzenoidaryl iodideorganic nitrogen compoundhalobenzenephenoxy compoundsulfuric acid esterdiphenyletherorganooxygen compound |
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