| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:04 UTC |
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| Update Date | 2025-03-21 18:35:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108097 |
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| Frequency | 24.8 |
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| Structure | |
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| Chemical Formula | C16H12I3NO5 |
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| Molecular Mass | 678.785 |
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| SMILES | NC(Cc1cc(I)c(Oc2ccc(C(=O)O)cc2I)c(I)c1)C(=O)O |
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| InChI Key | VQKSZPDLRGJODX-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 | 3-halobenzoic acidsalpha amino acidsamphetamines and derivativesaryl iodidesbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdiarylethersdicarboxylic acids and derivativesdiphenylethershalobenzoic acidshydrocarbon derivativesiodobenzenesmonoalkylaminesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acids |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acid3-halobenzoic acid or derivativesbenzoylorganohalogen compoundiodobenzeneorganoiodideorganic oxide3-halobenzoic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzoic acidamphetamine or derivativeshalobenzoic acidbenzoic acid or derivativeshalobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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