| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:12 UTC |
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| Update Date | 2025-03-21 17:57:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00011271 |
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| Frequency | 424.5 |
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| Structure | |
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| Chemical Formula | C9H11IN2O2 |
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| Molecular Mass | 305.9865 |
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| SMILES | NC(=O)C(N)Cc1ccc(O)c(I)c1 |
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| InChI Key | MGCVCKSGULFHAO-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 | tyrosine 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 derivativesfatty amideshalophenolshydrocarbon derivativesiodobenzenesmonoalkylamineso-iodophenolsorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativesprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylmonocyclic benzene moietycarbonyl groupfatty amide1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativestyrosine or derivatives2-iodophenolcarboxamide grouparyl halidearomatic homomonocyclic compound2-halophenolphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzeneorganooxygen compound |
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