| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:41 UTC |
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| Update Date | 2025-03-25 00:59:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234878 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16ClNO4 |
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| Molecular Mass | 321.0768 |
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| SMILES | CNC(Cc1ccc(Oc2ccc(O)cc2)c(Cl)c1)C(=O)O |
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| InChI Key | IETXOFUBUWSCQI-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 | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamino acidsamphetamines and derivativesaryl chloridescarbonyl compoundscarboxylic acidschlorobenzenesdialkylaminesdiarylethersdiphenylethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acids |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidamino acidorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesaryl chloridechlorobenzenesecondary aliphatic aminesecondary aminearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compoundamine |
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