| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:22:20 UTC |
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| Update Date | 2025-03-24 20:43:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01543967 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C21H13BrI5NO5 |
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| Molecular Mass | 1072.5201 |
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| SMILES | NC(Cc1cc(Br)c(Oc2cc(I)c(Oc3cc(I)c(O)c(I)c3)c(I)c2)c(I)c1)C(=O)O |
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| InChI Key | ASKCQAAUTBLXSS-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 bromidesaryl iodidesbromobenzenesbromodiphenyl etherscarbonyl compoundscarboxylic acidsdiarylethershalophenolshydrocarbon derivativesiodobenzenesmonoalkylaminesmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganobromidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acids |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidbromodiphenyl etherorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivatives2-iodophenolbromobenzenearyl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundorganobromidephenolhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compoundaryl bromidediphenyletherorganooxygen compound |
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