| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:05:38 UTC |
|---|
| Update Date | 2025-03-25 00:55:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02214369 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H13NO3 |
|---|
| Molecular Mass | 231.0895 |
|---|
| SMILES | CCOC(=O)Cn1ccc(=O)c2ccccc21 |
|---|
| InChI Key | DSABGSQGKIMULQ-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 esters |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroquinolonesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinesvinylogous amides |
|---|
| Substituents | carbonyl grouppolyhalopyridineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineorganoheterocyclic compoundvinylogous amidealpha-amino acid esterazacycleheteroaromatic compounddihydroquinolinemethylpyridinemonocarboxylic acid or derivativesdihydroquinolonepyridineorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
