| 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 | DMID02152034 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9I2NO5 |
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| Molecular Mass | 476.857 |
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| SMILES | NC(CC(=O)c1cc(I)c(O)c(I)c1O)C(=O)O |
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| InChI Key | XYGUESQBQDYFFO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaryl alkyl ketonesaryl iodidesbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshalophenolshydrocarbon derivativesiodobenzenesmonoalkylaminesmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsp-iodophenolsresorcinolsvinylogous acids |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylalpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundiodobenzene4-iodophenolorganoiodideresorcinolorganic oxide4-halophenolorganonitrogen compoundalpha-amino acidorganopnictogen compound2-iodophenolaryl halidegamma-keto acidbutyrophenonearomatic homomonocyclic compound2-halophenolvinylogous acidmonocarboxylic acid or derivativesketo acidphenolhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenealkyl-phenylketone |
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