| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:37:17 UTC |
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| Update Date | 2025-03-24 20:23:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01436438 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C16H11I4NO8S |
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| Molecular Mass | 884.6384 |
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| SMILES | NC(CC(=O)c1cc(I)c(Oc2cc(I)c(OS(=O)(=O)O)c(I)c2)c(I)c1)C(=O)O |
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| InChI Key | YIDSXVFZBHHIRA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | diphenylethers |
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| Direct Parent | diphenylethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl-phenylketonesalpha amino acidsaryl alkyl ketonesaryl iodidesbenzoyl derivativesbutyrophenonescarboxylic acidsdiarylethersgamma-keto acids and derivativeshydrocarbon derivativesiodobenzenesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | diaryl etherphenol ethersulfuric acid monoestercarbonyl groupethercarboxylic acidaryl alkyl ketonebenzoylalpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideketonephenylsulfateorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfateorganic sulfuric acid or derivativesphenylketonearyl halidegamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidsulfate-esterhydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compoundsulfuric acid esterdiphenyletheralkyl-phenylketoneorganooxygen compoundaryl ketone |
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