| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:26 UTC |
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| Update Date | 2025-03-21 17:58:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00016320 |
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| Frequency | 261.9 |
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| Structure | |
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| Chemical Formula | C9H9ClINO3 |
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| Molecular Mass | 340.9316 |
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| SMILES | NC(Cc1cc(Cl)c(O)c(I)c1)C(=O)O |
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| InChI Key | LKSVRKXLDBWDBM-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 | alpha amino acidsamphetamines and derivativesaryl chloridesaryl iodidescarbonyl compoundscarboxylic acidschlorobenzeneshalophenolshydrocarbon derivativesiodobenzenesmonoalkylaminesmonocarboxylic acids and derivativeso-chlorophenolso-iodophenolsorganic oxidesorganochloridesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganochlorideorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesaryl chloride2-chlorophenolchlorobenzenetyrosine or derivatives2-iodophenolaryl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzeneorganooxygen compound |
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