| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:57 UTC |
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| Update Date | 2025-03-21 18:03:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045647 |
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| Frequency | 73.7 |
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| Structure | |
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| Chemical Formula | C9H11I2NO2 |
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| Molecular Mass | 418.8879 |
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| SMILES | NC(CO)Cc1cc(I)c(O)c(I)c1 |
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| InChI Key | BCLQYRWDGWSMSV-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 | aryl iodideshalophenolshydrocarbon derivativesiodobenzenesmonoalkylamineso-iodophenolsorganoiodidesorganonitrogen compoundsorganopnictogen compoundsprimary alcohols |
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| Substituents | alcohol2-iodophenolorganohalogen compoundiodobenzeneorganoiodidearyl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzeneprimary alcoholorganooxygen compoundamphetamine or derivatives |
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