| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:44 UTC |
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| Update Date | 2025-03-25 00:57:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226039 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13ClN2O3 |
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| Molecular Mass | 256.0615 |
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| SMILES | CC(=O)Nc1ccc(CC(N)C(=O)O)c(Cl)c1 |
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| InChI Key | WDAJTZYCUBTCCX-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 acidschlorobenzeneshydrocarbon derivativesm-haloacetanilidesmonoalkylaminesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganochloridesorganopnictogen compoundsphenylpropanoic acidssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidn-acetylarylamine3-phenylpropanoic-acidorganochloriden-arylamideorganohalogen compoundhaloacetanilideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamideamphetamine or derivativesaryl chloridechlorobenzeneacetanilidecarboxamide grouparyl halidearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzenem-haloacetanilideorganooxygen compound |
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