| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:31 UTC |
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| Update Date | 2025-03-25 00:53:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202410 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H21INO3+ |
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| Molecular Mass | 378.0561 |
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| SMILES | C[N+](C)(C)C(CCC(=O)O)Cc1ccc(O)c(I)c1 |
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| InChI Key | BOTGGUKFAADOAC-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 iodidescarbocyclic fatty acidscarbonyl compoundscarboxylic acidshalogenated fatty acidshalophenolshydrocarbon derivativeshydroxy fatty acidsiodobenzenesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativeso-iodophenolsorganic cationsorganic oxidesorganic saltsorganoiodidesorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidfatty acidcarboxylic acid derivativeorganohalogen compoundiodobenzenemedium-chain hydroxy acidorganoiodideorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganic cationorganic saltamphetamine or derivativeshalogenated fatty acidtetraalkylammonium saltquaternary ammonium salt2-iodophenolaryl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativearyl iodideorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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