| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:35 UTC |
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| Update Date | 2025-03-25 00:51:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184335 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H11I3N2O4 |
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| Molecular Mass | 651.7853 |
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| SMILES | NC(Cc1cc(I)c(Oc2cc(I)c(O)cn2)c(I)c1)C(=O)O |
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| InChI Key | ZDGFTYLITCWKJQ-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 heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acidsamphetamines and derivativesaryl iodidesazacyclic compoundscarbonyl compoundscarboxylic acidsdiarylethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesiodobenzenesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acidspolyhalopyridines |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidpolyhalopyridineorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundamphetamine or derivativesazacycleheteroaromatic compoundhydroxypyridinearyl halidemonocarboxylic acid or derivativespyridinephenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
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