| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:01 UTC |
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| Update Date | 2025-03-25 00:56:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217569 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H14I3NO5 |
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| Molecular Mass | 680.8006 |
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| SMILES | COc1cc(Oc2c(I)cc(CC(N)C(=O)O)cc2I)c(I)cc1O |
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| InChI Key | HUOMUURIEBEOBR-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 benzenoidsalkyl aryl ethersalpha amino acidsamphetamines and derivativesanisolesaryl iodidescarbonyl compoundscarboxylic acidsdiarylethersdiphenylethershalophenolshydrocarbon derivativesiodobenzenesm-iodophenolsmethoxybenzenesmethoxyphenolsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylpropanoic acids |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivatives3-halophenolmethoxybenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compound3-iodophenoldiphenyletherorganooxygen compound |
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