| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:49 UTC |
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| Update Date | 2025-03-25 00:48:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171154 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H13ClI3NO4 |
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| Molecular Mass | 698.7667 |
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| SMILES | COc1c(I)cc(Oc2c(Cl)cc(CC(N)C(=O)O)cc2I)cc1I |
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| InChI Key | BCLNWCILJBUCLM-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 | alkyl aryl ethersalpha amino acidsamphetamines and derivativesanisolesaryl chloridesaryl iodidescarbonyl compoundscarboxylic acidschlorobenzenesdiarylethersdiphenylethershydrocarbon derivativesiodobenzenesmethoxybenzenesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylpropanoic acids |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidorganochloridealkyl aryl etherorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesaryl chloridechlorobenzenemethoxybenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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