| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:39 UTC |
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| Update Date | 2025-03-21 18:29:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078148 |
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| Frequency | 37.5 |
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| Structure | |
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| Chemical Formula | C13H14N2O3 |
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| Molecular Mass | 246.1004 |
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| SMILES | NC(=O)C1CCC(=O)N1C(=O)Cc1ccccc1 |
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| InChI Key | NUPUEMXDFPMFCK-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 | proline and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdicarboximideshydrocarbon derivativesn-acylpyrrolidinesn-substituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidesprimary carboxylic acid amidespyrrolidine-2-onespyrrolidinecarboxamides |
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| Substituents | primary carboxylic acid amide2-pyrrolidonemonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundn-acylpyrrolidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compounddicarboximidepyrrolidinecarboxylic acid imide, n-substitutedpyrrolidonephenylacetamideorganoheterocyclic compoundproline or derivativesalpha-amino acid amideazacyclecarboxamide groupcarboxylic acid imidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compound |
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