| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:09 UTC |
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| Update Date | 2025-03-25 00:59:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240435 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H18BrIN2O5 |
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| Molecular Mass | 547.9444 |
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| SMILES | NC(Cc1ccc(Oc2c(Br)cc(CC(N)C(=O)O)cc2I)cc1)C(=O)O |
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| InChI Key | RLSPUUVDYHEZFT-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 acidsdiarylethersdicarboxylic acids and derivativeshydrocarbon derivativesiodobenzenesmonoalkylaminesorganic 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 derivativesbromobenzenearyl halidearomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativesorganobromidehydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compoundaryl bromidediphenyletherorganooxygen compound |
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