| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:45:53 UTC |
|---|
| Update Date | 2025-03-21 18:00:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00028742 |
|---|
| Frequency | 130.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H18N2O2 |
|---|
| Molecular Mass | 234.1368 |
|---|
| SMILES | NC(Cc1ccc(O)cc1)C(=O)N1CCCC1 |
|---|
| InChI Key | NVAGWWHGWFBHBH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | alpha amino acid amides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amides |
|---|
| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundn-acylpyrrolidine1-hydroxy-2-unsubstituted benzenoidorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundamphetamine or derivativesalpha-amino acid amideazacyclecarboxamide grouporganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
