| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:23 UTC |
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| Update Date | 2025-03-25 00:45:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152030 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H14INO5 |
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| Molecular Mass | 426.9917 |
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| SMILES | NC(CC(=O)c1ccc(Oc2ccc(O)cc2)c(I)c1)C(=O)O |
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| InChI Key | SSMMZEIKHQBOGC-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 | 1-hydroxy-2-unsubstituted benzenoidsalkyl-phenylketonesalpha amino acidsaryl alkyl ketonesaryl iodidesbenzoyl derivativesbutyrophenonescarboxylic acidsdiarylethersgamma-keto acids and derivativeshydrocarbon derivativesiodobenzenesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compounds |
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| Substituents | diaryl etherphenol ethercarbonyl groupethercarboxylic acidaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylketonearyl halidegamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidphenolhydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletheralkyl-phenylketoneorganooxygen compoundaryl ketone |
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