| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:39 UTC |
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| Update Date | 2025-03-25 00:51:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184495 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15NO6 |
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| Molecular Mass | 281.0899 |
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| SMILES | NC(Cc1ccccc1C(=O)CC(O)C(=O)O)C(=O)O |
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| InChI Key | HZKWLZIRFKGYAJ-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-phenylketonesalpha amino acidsalpha hydroxy acids and derivativesamphetamines and derivativesaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbutyrophenonescarboxylic acidsdicarboxylic acids and derivativesgamma-keto acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidssecondary alcohols |
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| Substituents | beta-hydroxy ketonemonocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketone3-phenylpropanoic-acidalpha-hydroxy acidbenzoylketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesalcoholhydroxy acidphenylketonegamma-keto acidbutyrophenonearomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundketo acidsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundalkyl-phenylketoneorganooxygen compoundaryl ketone |
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