| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:27 UTC |
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| Update Date | 2025-03-25 00:47:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161181 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H18I2N2O6 |
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| Molecular Mass | 611.9254 |
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| SMILES | NC(Cc1ccc(Oc2c(O)cc(CC(N)C(=O)O)cc2I)c(I)c1)C(=O)O |
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| InChI Key | CCCCRMVBSKBCAS-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativesaryl iodidescarbonyl compoundscarboxylic acidsdiarylethersdicarboxylic acids and derivativesdiphenylethershalophenolshydrocarbon derivativesiodobenzenesm-iodophenolsmonoalkylaminesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acids |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivatives3-halophenol1-hydroxy-4-unsubstituted benzenoidaryl halidearomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compound3-iodophenoldiphenyletherorganooxygen compound |
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