| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:53 UTC |
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| Update Date | 2025-03-25 00:53:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198689 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H14Cl3NO4 |
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| Molecular Mass | 388.9988 |
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| SMILES | COc1cc(CC(N)C(=O)O)c(Cl)cc1Oc1ccc(Cl)cc1Cl |
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| InChI Key | QDDGRFZBFIVZDO-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 | alkyl aryl ethersalpha amino acidsanisolesaryl chloridescarbonyl compoundscarboxylic acidsdiarylethersdichlorobenzenesdiphenylethershydrocarbon derivativesmethoxybenzenesmethoxylated amphetaminesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylpropanoic acids |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidorganochloridealkyl aryl etherorganohalogen compound1,3-dichlorobenzeneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesaryl chloridechlorobenzenemethoxylated amphetaminemethoxybenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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