| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:58 UTC |
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| Update Date | 2025-03-21 18:41:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133990 |
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| Frequency | 18.8 |
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| Structure | |
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| Chemical Formula | C9H10INO4 |
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| Molecular Mass | 322.9655 |
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| SMILES | NC(Cc1cc(O)c(I)cc1O)C(=O)O |
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| InChI Key | MJPUIRFAHXRKIQ-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 | 1,4-dihydroxy-2-halobenzenoids1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativesaryl iodidescarbonyl compoundscarboxylic acidshalophenolshydrocarbon derivativeshydroquinonesiodobenzenesm-iodophenolsmonoalkylaminesmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivatives3-halophenol2-iodophenolaryl halidehydroquinonearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenol1,4-dihydroxy-2-halobenzenoidhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzene3-iodophenolorganooxygen compound |
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