| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:31 UTC |
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| Update Date | 2025-03-25 00:57:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223371 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H14I3NO4 |
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| Molecular Mass | 664.8057 |
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| SMILES | NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)CO |
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| InChI Key | QJSOWFHQUBZXPH-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 benzenoidsalcohols and polyolsalpha-hydroxy ketonesamphetamines and derivativesaryl iodidesdiarylethershalophenolshydrocarbon derivativesiodobenzenesmonoalkylaminesmonosaccharideso-iodophenolsorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compounds |
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| Substituents | diaryl etherphenol ethercarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmonosaccharidealpha-hydroxy ketoneorganohalogen compoundiodobenzeneorganoiodideketonesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundamphetamine or derivativesalcohol2-iodophenolaryl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundphenolhydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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