| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:02 UTC |
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| Update Date | 2025-03-21 17:58:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00013267 |
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| Frequency | 338.2 |
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| Structure | |
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| Chemical Formula | C10H11I2NO3 |
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| Molecular Mass | 446.8828 |
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| SMILES | COc1c(I)cc(CC(N)C(=O)O)cc1I |
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| InChI Key | JMQJEGKOOIHXRM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsanisolesaryl iodidescarbonyl compoundscarboxylic acidshydrocarbon derivativesiodobenzenesmethoxybenzenesmethoxylated amphetaminesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylpropanoic acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalkyl aryl etherorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesmethoxylated amphetaminemethoxybenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
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