| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:07 UTC |
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| Update Date | 2025-03-25 00:45:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151411 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H10Cl2I2N2O3 |
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| Molecular Mass | 601.8158 |
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| SMILES | N#Cc1ccc(Oc2c(I)cc(CC(N)C(=O)O)cc2I)c(Cl)c1Cl |
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| InChI Key | AEBICTUOCRSIIP-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 acidsamphetamines and derivativesaryl chloridesaryl iodidesbenzonitrilescarbonyl compoundscarboxylic acidsdiarylethersdichlorobenzenesdiphenylethershydrocarbon derivativesiodobenzenesmonoalkylaminesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganochloridesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acids |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethernitrilecarboxylic acid3-phenylpropanoic-acidorganochlorideorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1,2-dichlorobenzenecarbonitrileamphetamine or derivativesaryl chloridechlorobenzenebenzonitrilearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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