| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:44 UTC |
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| Update Date | 2025-03-25 00:49:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02173279 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14INO3 |
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| Molecular Mass | 347.0018 |
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| SMILES | CCC(O)=NC(Cc1ccc(I)cc1)C(=O)O |
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| InChI Key | VSGOFLRRWYMGEV-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 compoundscarboximidic acidscarboxylic acidshydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganohalogen compoundiodobenzeneorganoiodidepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesorganic 1,3-dipolar compoundaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidaryl iodideorganic nitrogen compoundhalobenzeneorganooxygen compound |
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