| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:32 UTC |
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| Update Date | 2025-03-21 18:36:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111639 |
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| Frequency | 23.8 |
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| Structure | |
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| Chemical Formula | C11H12ClNO5 |
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| Molecular Mass | 273.0404 |
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| SMILES | NC(Cc1ccc(OCC(=O)O)c(Cl)c1)C(=O)O |
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| InChI Key | LIZNPOPUBZBMBH-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 acidsamphetamines and derivativesaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneschlorophenoxyacetatesdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acids |
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| Substituents | phenol ethermonocyclic benzene moietyphenoxyacetatecarbonyl groupethercarboxylic acid3-phenylpropanoic-acidorganochloridealkyl aryl etherorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesaryl chloridechlorobenzenearyl halidearomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundchlorophenoxyacetatedicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
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