| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:10:22 UTC |
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| Update Date | 2025-03-21 20:49:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00367486 |
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| Frequency | 5.1 |
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| Structure | |
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| Chemical Formula | C18H18I4NO7S+ |
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| Molecular Mass | 899.6977 |
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| SMILES | C[N+](C)(C)C(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 | XPHDRQFZOGDRDE-UHFFFAOYSA-O |
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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 acidsaminesamphetamines and derivativesaryl iodidescarbonyl compoundscarboxylic acidsdiarylethersdiphenylethershydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganoiodidesorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acidsphenylsulfatessulfuric acid monoesterstetraalkylammonium salts |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupethercarboxylic acid3-phenylpropanoic-acidorganohalogen compoundiodobenzeneorganoiodidephenylsulfateorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundarylsulfateorganic cationorganic saltamphetamine or derivativesorganic sulfuric acid or derivativestetraalkylammonium saltquaternary ammonium saltaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidaryl iodideorganic nitrogen compoundhalobenzenephenoxy compoundsulfuric acid esterdiphenyletheramineorganooxygen compound |
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