| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:22 UTC |
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| Update Date | 2025-03-25 00:46:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154388 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12INO4 |
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| Molecular Mass | 336.9811 |
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| SMILES | COc1cc(CC(N)C(=O)O)cc(O)c1I |
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| InChI Key | VEEFDDSVGUUZGK-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersalpha amino acidsanisolesaryl iodidescarbonyl compoundscarboxylic acidshalophenolshydrocarbon derivativesiodobenzenesmethoxybenzenesmethoxylated amphetaminesmethoxyphenolsmonoalkylaminesmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylpropanoic acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidmethoxyphenol1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesmethoxylated amphetamine2-iodophenol1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearyl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
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