| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:53 UTC |
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| Update Date | 2025-03-21 18:36:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110058 |
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| Frequency | 24.3 |
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| Structure | |
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| Chemical Formula | C10H11IN2O4 |
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| Molecular Mass | 349.9764 |
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| SMILES | NC(=O)NC(Cc1ccc(O)c(I)c1)C(=O)O |
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| InChI Key | CXAMNGLSHJOMDN-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 acidshalophenolshydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativesn-carbamoyl-alpha amino acidso-iodophenolsorganic carbonic acids and derivativesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzeneorganoiodideorganic oxiden-carbamoyl-alpha-amino acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativescarbonic acid derivativetyrosine or derivativesn-carbamoyl-alpha-amino acid2-iodophenolaryl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidaryl iodideorganic nitrogen compoundhalobenzeneorganooxygen compound |
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