| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:26 UTC |
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| Update Date | 2025-03-21 18:32:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00089405 |
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| Frequency | 31.6 |
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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(O)cc1I)C(=O)O |
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| InChI Key | SNWWQBXRIDJDKS-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 derivativesiodobenzenesm-iodophenolsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsp-iodophenolsphenylalanine and derivativesphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzene4-iodophenolorganoiodideorganic oxide4-halophenolorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivatives3-halophenoltyrosine or derivativesaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzene3-iodophenolorganooxygen compound |
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