| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:07:54 UTC |
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| Update Date | 2025-03-25 00:34:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02080871 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C24H15I6NO7 |
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| Molecular Mass | 1190.5117 |
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| SMILES | NC(Cc1cc(I)c(Oc2cc(I)c(Oc3c(I)cc(CC(=O)C(=O)O)cc3I)cc2I)c(I)c1)C(=O)O |
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| InChI Key | OOWRRAONGLLQQL-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 | alpha amino acidsalpha-hydroxy ketonesalpha-keto acids and derivativesamphetamines and derivativesaryl iodidescarboxylic acidsdiarylethersdicarboxylic acids and derivativesdiphenylethershydrocarbon derivativesiodobenzenesmonoalkylaminesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acidsphenylpyruvic acid derivatives |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalpha-hydroxy ketoneorganohalogen compoundiodobenzeneorganoiodideketoneorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundamphetamine or derivativesphenylpyruvatearyl halidearomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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