| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:11 UTC |
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| Update Date | 2025-03-25 00:49:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172014 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H19I3N2O6 |
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| Molecular Mass | 763.8377 |
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| SMILES | CC(=O)NC(Cc1cc(I)c(Oc2ccc(CC(N)C(=O)O)cc2I)c(I)c1)C(=O)O |
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| InChI Key | PWQFTWCJPAZMKX-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 | acetamidesalpha amino acidsamphetamines and derivativesaryl iodidescarbonyl compoundscarboxylic acidsdiarylethersdicarboxylic acids and derivativesdiphenylethershydrocarbon derivativesiodobenzenesmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acidssecondary carboxylic acid amides |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamideamphetamine or derivativesn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidcarboxamide grouparyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amidephenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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