| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:32 UTC |
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| Update Date | 2025-03-21 18:05:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00058664 |
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| Frequency | 53.8 |
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| Structure | |
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| Chemical Formula | C15H14I3NO2 |
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| Molecular Mass | 620.8159 |
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| SMILES | CC(N)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 |
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| InChI Key | BOEXMTMUPVZHFH-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 benzenoidsamphetamines and derivativesaryl iodidesdiarylethershalophenolshydrocarbon derivativesiodobenzenesmonoalkylamineso-iodophenolsorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanes |
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| Substituents | diaryl etherphenol etherether1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzeneorganoiodidephenylpropaneorganonitrogen compoundorganopnictogen compoundamphetamine or derivatives2-iodophenolaryl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundphenolhydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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