| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:42 UTC |
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| Update Date | 2025-03-21 18:38:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119306 |
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| Frequency | 21.8 |
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| Structure | |
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| Chemical Formula | C13H15NO5 |
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| Molecular Mass | 265.095 |
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| SMILES | CC(O)C(=O)NC(CC(=O)c1ccccc1)C(=O)O |
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| InChI Key | HQBHSISGTNSTLA-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl-phenylketonesalpha amino acidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketonebenzoylketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholn-acyl-alpha-amino acidcarboxamide groupphenylketonegamma-keto acidbutyrophenonearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketoneorganooxygen compoundaryl ketone |
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