| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:02 UTC |
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| Update Date | 2025-03-21 18:34:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100566 |
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| Frequency | 27.2 |
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| Structure | |
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| Chemical Formula | C9H13IN2O |
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| Molecular Mass | 292.0073 |
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| SMILES | NCC(N)Cc1ccc(O)c(I)c1 |
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| InChI Key | CTLIYTLVIMQYEA-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 compounds |
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| Substituents | 2-iodophenol1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzeneorganoiodidearyl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzeneorganooxygen compoundamphetamine or derivatives |
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