| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:58:41 UTC |
|---|
| Update Date | 2025-03-21 18:05:48 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00059044 |
|---|
| Frequency | 53.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H16N2O |
|---|
| Molecular Mass | 216.1263 |
|---|
| SMILES | O=C(C1CCCN1)N1Cc2ccccc2C1 |
|---|
| InChI Key | PMZATQKRYWGIMK-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 heteropolycyclic compounds |
|---|
| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesdialkylamineshydrocarbon derivativesisoindolesisoindolinesorganic oxidesorganopnictogen compoundspyrrolidinecarboxamidestertiary carboxylic acid amides |
|---|
| Substituents | carbonyl grouporganic oxideisoindolinearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundsecondary aliphatic aminealpha-amino acid amideazacycleisoindolesecondary aminecarboxamide grouppyrrolidine carboxylic acid or derivativesorganic oxygen compoundisoindole or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundamine |
|---|
