| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:07 UTC |
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| Update Date | 2025-03-25 00:58:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233534 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H6I3N3O3 |
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| Molecular Mass | 596.7543 |
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| SMILES | Nc1nc(O)c(I)c(Oc2cc(I)c(O)c(I)c2)n1 |
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| InChI Key | JLJNYSIDTVKEMZ-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 | ethers |
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| Direct Parent | diarylethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl iodidesazacyclic compoundshalophenolshalopyrimidinesheteroaromatic compoundshydrocarbon derivativeshydroxypyrimidinesiodobenzeneso-iodophenolsorganoiodidesorganopnictogen compoundsphenol ethersphenoxy compoundsprimary amines |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietyaromatic heteromonocyclic compoundhydroxypyrimidineorganohalogen compoundiodobenzeneorganoiodidepyrimidineorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compound2-iodophenolhalopyrimidinearyl halide2-halophenolphenolhydrocarbon derivativebenzenoidaryl iodideprimary amineorganic nitrogen compoundhalobenzenephenoxy compoundamine |
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