| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:01 UTC |
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| Update Date | 2025-03-25 00:58:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02228811 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H15Cl2NO4 |
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| Molecular Mass | 367.0378 |
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| SMILES | CC(=O)NC(Cc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1)C(=O)O |
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| InChI Key | ZKOBQEXIUFBIQT-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 | acetamidesalpha amino acidsamphetamines and derivativesaryl chloridescarbonyl compoundscarboxylic acidsdiarylethersdichlorobenzenesdiphenylethershydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acidssecondary carboxylic acid amides |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidorganochlorideorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1,2-dichlorobenzeneacetamideamphetamine or derivativesn-acyl-alpha amino acid or derivativesaryl chloridechlorobenzenen-acyl-alpha-amino acidcarboxamide grouparyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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