| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:46 UTC |
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| Update Date | 2025-03-21 18:41:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135803 |
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| Frequency | 18.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O4 |
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| Molecular Mass | 264.111 |
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| SMILES | CNc1ccccc1C(=O)CC(NC(C)=O)C(=O)O |
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| InChI Key | WBYQYQWEINXXAF-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 | acetamidesalkyl-phenylketonesalpha amino acidsamino acidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylalkylaminessecondary alkylarylaminessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketoneamino acidbenzoylketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidevinylogous amiden-acyl-alpha-amino acidsecondary aminecarboxamide groupphenylketonesecondary aliphatic/aromatic aminegamma-keto acidbutyrophenonearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundaminealkyl-phenylketoneorganooxygen compoundaryl ketone |
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