| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:38 UTC |
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| Update Date | 2025-03-25 00:46:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152618 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11IN2O |
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| Molecular Mass | 289.9916 |
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| SMILES | NC(=O)C(N)Cc1ccccc1I |
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| InChI Key | YXNINEGKQFOIFJ-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 iodidescarbonyl compoundscarboxylic acids and derivativesfatty amideshydrocarbon derivativesiodobenzenesmonoalkylaminesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylmonocyclic benzene moietycarbonyl groupfatty amideorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativescarboxamide grouparyl halidearomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzeneorganooxygen compound |
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