| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:41:46 UTC |
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| Update Date | 2025-03-24 17:55:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01014665 |
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| Frequency | 1.4 |
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| Structure | |
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| Chemical Formula | C16H13I4NO8S |
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| Molecular Mass | 886.6541 |
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| SMILES | NC(Cc1cc(I)c(Oc2cc(I)c(OS(=O)(=O)O)c(I)c2)c(I)c1)C(O)C(=O)O |
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| InChI Key | PPIAWACQOHKUSI-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 | alpha hydroxy acids and derivativesamphetamines and derivativesaryl iodidesbeta amino acids and derivativescarbonyl compoundscarboxylic acidsdiarylethershydrocarbon derivativesiodobenzenesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylsulfatessecondary alcoholssulfuric acid monoesters |
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| Substituents | diaryl etherphenol ethersulfuric acid monoestercarbonyl groupethercarboxylic acidalpha-hydroxy acidmonosaccharidecarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodidephenylsulfatesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfateamphetamine or derivativesalcoholorganic sulfuric acid or derivativeshydroxy acidbeta amino acid or derivativesaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compoundsulfuric acid esterdiphenyletherorganooxygen compound |
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