| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:49:44 UTC |
|---|
| Update Date | 2025-03-25 00:49:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02177952 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H15NO2 |
|---|
| Molecular Mass | 229.1103 |
|---|
| SMILES | Cc1ccc(-c2ccc(CC(=O)O)n2C)cc1 |
|---|
| InChI Key | ZZBQRGHQSPLVIS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | toluenes |
|---|
| Direct Parent | toluenes |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesn-methylpyrrolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssubstituted pyrroles |
|---|
| Substituents | carbonyl groupn-methylpyrrolecarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundsubstituted pyrrolecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundtolueneorganoheterocyclic compoundorganooxygen compound |
|---|
