| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 02:11:37 UTC |
|---|
| Update Date | 2025-03-21 20:49:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00370314 |
|---|
| Frequency | 5.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H7NO2 |
|---|
| Molecular Mass | 137.0477 |
|---|
| SMILES | O=CCc1ccc[nH]c1=O |
|---|
| InChI Key | MQDXUNDYURWWCJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | hydropyridines |
|---|
| Direct Parent | pyridinones |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha-hydrogen aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyridines and derivatives |
|---|
| Substituents | carbonyl grouplactamaromatic heteromonocyclic compoundazacycleheteroaromatic compoundaldehydeorganic oxideorganic oxygen compoundalpha-hydrogen aldehydeorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyridinoneorganooxygen compound |
|---|
