| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:25 UTC |
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| Update Date | 2025-03-21 18:03:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046782 |
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| Frequency | 71.4 |
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| Structure | |
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| Chemical Formula | C9H12INO |
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| Molecular Mass | 276.9964 |
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| SMILES | CC(N)Cc1ccc(O)c(I)c1 |
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| InChI Key | LPNCXXXBCCHJQI-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 | 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 benzenoidsaryl iodideshalophenolshydrocarbon derivativesiodobenzenesmonoalkylamineso-iodophenolsorganoiodidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenylpropanes |
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| Substituents | 2-iodophenol1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzeneorganoiodidearyl halidephenylpropanearomatic homomonocyclic compound2-halophenolorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzeneorganooxygen compoundamphetamine or derivatives |
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