| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:48 UTC |
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| Update Date | 2025-03-25 00:56:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217045 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13I2NO |
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| Molecular Mass | 416.9087 |
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| SMILES | NCCCCc1cc(I)c(O)c(I)c1 |
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| InChI Key | XRECURBVGGICFH-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 | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl iodideshalophenolshydrocarbon derivativesiodobenzenesmonoalkylamineso-iodophenolsorganoiodidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | 2-iodophenolorganohalogen compoundiodobenzeneorganoiodidearyl halidearomatic homomonocyclic compound2-halophenolphenylbutylamineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzeneorganooxygen compound |
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