| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:49 UTC |
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| Update Date | 2025-03-21 18:36:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112307 |
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| Frequency | 23.6 |
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| Structure | |
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| Chemical Formula | C15H15IN2O3 |
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| Molecular Mass | 398.0127 |
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| SMILES | NC(=O)C(N)Cc1ccc(Oc2ccc(O)cc2)c(I)c1 |
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| InChI Key | GXRVAIVCHJLOKS-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 benzenoidsalpha amino acidsamphetamines and derivativesaryl iodidescarbonyl compoundscarboxylic acids and derivativesdiarylethersdiphenylethersfatty amideshydrocarbon derivativesiodobenzenesmonoalkylaminesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidediaryl etherfatty acylphenol ethermonocyclic benzene moietycarbonyl groupetherfatty amide1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativescarboxamide grouparyl halidearomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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