| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:37 UTC |
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| Update Date | 2025-03-25 00:59:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239226 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H13IN2O2 |
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| Molecular Mass | 380.0022 |
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| SMILES | N#Cc1cc(Oc2ccc(CCN)cc2I)ccc1O |
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| InChI Key | ZMFDIJFIGAAHPH-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 iodidesbenzonitrilesdiarylethershydrocarbon derivativesiodobenzenesmonoalkylaminesnitrilesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compounds |
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| Substituents | diaryl etherphenol etherethernitrile1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzeneorganoiodideorganonitrogen compoundorganopnictogen compoundcarbonitrilebenzonitrilearyl halidearomatic homomonocyclic compoundorganic oxygen compoundphenolhydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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