| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:50 UTC |
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| Update Date | 2025-03-21 18:03:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045365 |
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| Frequency | 74.3 |
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| Structure | |
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| Chemical Formula | C14H10I3NO3 |
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| Molecular Mass | 620.7795 |
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| SMILES | NC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 |
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| InChI Key | CSSPIICZWIIEED-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 benzenoidsaryl iodidescarbonyl compoundscarboxylic acids and derivativesdiarylethershalophenolshydrocarbon derivativesiodobenzeneso-iodophenolsorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylacetamidesprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidediaryl etherphenol ethercarbonyl groupether1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundorganopnictogen compoundphenylacetamide2-iodophenolcarboxamide grouparyl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundphenolhydrocarbon derivativearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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