| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:23:43 UTC |
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| Update Date | 2025-03-24 14:18:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00827779 |
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| Frequency | 1.8 |
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| Structure | |
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| Chemical Formula | C20H18I4N2O7 |
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| Molecular Mass | 905.7293 |
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| SMILES | NC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)NC(CCC(=O)O)C(=O)O |
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| InChI Key | HWCNMTSTIGOFQE-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 | dipeptides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsamphetamines and derivativesaryl iodidescarbonyl compoundscarboxylic acidsdiarylethersdicarboxylic acids and derivativesdiphenylethersfatty amidesglutamic acid and derivativeshalophenolshydrocarbon derivativesiodobenzenesmonoalkylaminesn-acyl-alpha amino acidso-iodophenolsorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylalanine and derivativessecondary carboxylic acid amides |
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| Substituents | diaryl etherfatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidfatty amidealpha-amino acid or derivativesorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acid2-iodophenolglutamic acid or derivativescarboxamide grouparyl halidearomatic homomonocyclic compoundalpha-dipeptide2-halophenolsecondary carboxylic acid amidephenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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