| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:48 UTC |
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| Update Date | 2025-03-21 18:41:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133630 |
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| Frequency | 18.9 |
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| Structure | |
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| Chemical Formula | C16H19IN2O |
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| Molecular Mass | 382.0542 |
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| SMILES | NCCc1ccc(Oc2ccc(CCN)cc2I)cc1 |
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| InChI Key | IASKBQWRWMNZHS-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 | aryl iodidesdiarylethershydrocarbon derivativesiodobenzenesmonoalkylaminesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compounds |
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| Substituents | diaryl etherphenol etheretherorganohalogen compoundiodobenzeneorganoiodidearyl halidearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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