| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:43:57 UTC |
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| Update Date | 2025-03-24 20:27:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01451703 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C24H17I4NO10S |
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| Molecular Mass | 1018.6752 |
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| SMILES | NC(Cc1cc(I)c(Oc2cc(I)c(Oc3cc(C=CC(=O)O)ccc3OS(=O)(=O)O)c(I)c2)c(I)c1)C(=O)O |
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| InChI Key | OTBVDLMNPUNOOZ-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamphetamines and derivativesaryl iodidescarbonyl compoundscarboxylic acidscinnamic acids and derivativesdiarylethersdicarboxylic acids and derivativesdiphenylethershydrocarbon derivativesiodobenzenesmonoalkylaminesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acidsphenylsulfatessulfuric acid monoesters |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupsulfuric acid monoesterethercarboxylic acid3-phenylpropanoic-acidorganohalogen compoundiodobenzeneorganoiodidephenylsulfatecinnamic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfateamphetamine or derivativesorganic sulfuric acid or derivativesaryl halidearomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativessulfate-esterhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compoundsulfuric acid esterdiphenyletherorganooxygen compound |
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