| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:17 UTC |
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| Update Date | 2025-03-21 18:02:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036853 |
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| Frequency | 95.7 |
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| Structure | |
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| Chemical Formula | C13H16N2O5 |
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| Molecular Mass | 280.1059 |
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| SMILES | CC(O)C(=O)NC(CC(=O)c1ccccc1N)C(=O)O |
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| InChI Key | NKLCYKNNWVKPLZ-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 acidsamino acidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminessecondary alcoholssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketoneamino acidbenzoylketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholvinylogous amiden-acyl-alpha-amino acidcarboxamide groupphenylketonegamma-keto acidbutyrophenonearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidsecondary alcoholhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketoneorganooxygen compoundaryl ketone |
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