| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:53 UTC |
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| Update Date | 2025-03-25 00:53:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198685 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16I3NO4 |
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| Molecular Mass | 678.8214 |
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| SMILES | COc1ccc(Oc2c(I)cc(CCC(N)C(=O)O)cc2I)cc1I |
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| InChI Key | WYNXTRKZEFDYDF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | diphenylethers |
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| Direct Parent | diphenylethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsanisolesaryl iodidescarbonyl compoundscarboxylic acidsdiarylethershydrocarbon derivativesiodobenzenesmethoxybenzenesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | diaryl etherphenol ethercarbonyl groupethercarboxylic acidalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmethoxybenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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