| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:41 UTC |
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| Update Date | 2025-03-21 18:03:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047400 |
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| Frequency | 70.3 |
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| Structure | |
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| Chemical Formula | C15H20N2O3 |
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| Molecular Mass | 276.1474 |
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| SMILES | CC(=O)C1CCCN1C(=O)C(N)Cc1ccc(O)cc1 |
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| InChI Key | QBRXKAWCUIGNGS-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 | alpha amino acid amides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarboxylic acids and derivativeshydrocarbon derivativesketonesmonoalkylaminesn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundn-acylpyrrolidine1-hydroxy-2-unsubstituted benzenoidketoneorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundamphetamine or derivativesalpha-amino acid amideazacyclecarboxamide grouporganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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