| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:41 UTC |
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| Update Date | 2025-03-25 00:53:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198217 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19INO+ |
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| Molecular Mass | 320.0506 |
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| SMILES | CC(Cc1cc(I)ccc1O)[N+](C)(C)C |
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| InChI Key | GWWWWAHJXOTAKT-UHFFFAOYSA-O |
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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 | phenethylamines |
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| Direct Parent | amphetamines and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaminesaryl iodideshalophenolshydrocarbon derivativesiodobenzenesorganic cationsorganic saltsorganoiodidesorganooxygen compoundsorganopnictogen compoundsp-iodophenolsphenylpropanestetraalkylammonium salts |
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| Substituents | 1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzene4-iodophenolorganoiodidephenylpropane4-halophenolorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltamphetamine or derivativestetraalkylammonium saltquaternary ammonium saltaryl halidearomatic homomonocyclic compoundorganic oxygen compoundphenolhydrocarbon derivativearyl iodideorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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