| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:37:32 UTC |
|---|
| Update Date | 2025-03-21 17:57:43 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00009737 |
|---|
| Frequency | 491.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H16N2O2 |
|---|
| Molecular Mass | 232.1212 |
|---|
| SMILES | CN(C)C(Cc1c[nH]c2ccccc12)C(=O)O |
|---|
| InChI Key | SOSHNYKNINOSTB-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 acids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolestrialkylamines |
|---|
| Substituents | carbonyl groupcarboxylic acidamino acidindoleorganic oxidearomatic heteropolycyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundazacycleheteroaromatic compoundtertiary aliphatic amineindole or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
|---|
