| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:51:08 UTC |
|---|
| Update Date | 2025-03-21 18:02:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00041249 |
|---|
| Frequency | 83.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16N2O2 |
|---|
| Molecular Mass | 220.1212 |
|---|
| SMILES | CC(N)C(=O)N1Cc2ccccc2C(O)C1 |
|---|
| InChI Key | HHGRYUBABFRWEX-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 derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholstertiary carboxylic acid amidestetrahydroisoquinolines |
|---|
| Substituents | alcoholcarbonyl groupalpha-amino acid amideazacyclecarboxamide grouporganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundtetrahydroisoquinolinealpha-amino acidsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
|---|
