| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:58 UTC |
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| Update Date | 2025-03-25 00:48:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166998 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO4 |
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| Molecular Mass | 223.0845 |
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| SMILES | CC(=O)c1cccc(O)c1CC(N)C(=O)O |
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| InChI Key | NEYLUWBJXSZRHO-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsacetophenonesalkyl-phenylketonesalpha amino acidsamphetamines and derivativesaryl alkyl ketonesbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketone3-phenylpropanoic-acidbenzoyl1-hydroxy-2-unsubstituted benzenoidketoneorganic oxideorganonitrogen compoundalpha-amino acidacetophenoneorganopnictogen compoundamphetamine or derivatives1-hydroxy-4-unsubstituted benzenoidphenylketonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundalkyl-phenylketoneorganooxygen compoundaryl ketone |
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