| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:49:57 UTC |
|---|
| Update Date | 2025-03-25 00:50:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02178433 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H17NO2 |
|---|
| Molecular Mass | 231.1259 |
|---|
| SMILES | Cc1cccc2c1C(=NCC(=O)O)CC2(C)C |
|---|
| InChI Key | LRZBKLFAQPNWFD-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 homopolycyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesindanesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary ketimines |
|---|
| Substituents | ketiminecarbonyl groupcarboxylic acidiminearomatic homopolycyclic compoundorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundindaneorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
