| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:23 UTC |
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| Update Date | 2025-03-21 18:00:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00027569 |
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| Frequency | 137.4 |
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| Structure | |
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| Chemical Formula | C15H16INO2 |
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| Molecular Mass | 369.0226 |
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| SMILES | COc1ccc(Oc2ccc(CCN)cc2I)cc1 |
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| InChI Key | NICSXTNFBWERID-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 | alkyl aryl ethersanisolesaryl iodidesdiarylethershydrocarbon derivativesiodobenzenesmethoxybenzenesmonoalkylaminesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | diaryl etherphenol etheretheralkyl aryl etherorganohalogen compoundiodobenzeneorganoiodideorganonitrogen compoundorganopnictogen compoundmethoxybenzenearyl halidearomatic homomonocyclic compoundorganic oxygen compoundanisolehydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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