| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:50 UTC |
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| Update Date | 2025-03-25 00:49:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175803 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18N2O6 |
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| Molecular Mass | 322.1165 |
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| SMILES | Cc1ccc(C(=O)CC(NC(=O)C(N)CC(=O)O)C(=O)O)cc1 |
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| InChI Key | WMRRVZBKQNKZMA-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 | dipeptides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl-phenylketonesalpha amino acid amidesalpha amino acidsaryl alkyl ketonesaspartic acid and derivativesbenzoyl derivativesbutyrophenonescarboxylic acidsdicarboxylic acids and derivativesgamma-keto acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestoluenes |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketonefatty amidebenzoylalpha-amino acid or derivativesketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupn-acyl-aminephenylketonegamma-keto acidbutyrophenonearomatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundketo acidaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundtoluenealkyl-phenylketoneorganooxygen compoundaryl ketone |
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