| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:33 UTC |
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| Update Date | 2025-03-25 00:56:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218791 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H14I2N2O3 |
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| Molecular Mass | 523.9094 |
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| SMILES | Cc1ccc(Oc2c(I)cc(CC(N)C(=O)O)cc2I)cn1 |
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| InChI Key | ZHSFDLUSBYAELT-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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