| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 12:53:49 UTC |
|---|
| Update Date | 2025-03-24 21:49:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01904713 |
|---|
| Frequency | 0.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H7NO |
|---|
| Molecular Mass | 121.0528 |
|---|
| SMILES | C=CC(=O)c1cc[nH]c1 |
|---|
| InChI Key | NNSDGQQWYIZUFL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | aryl ketones |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha,beta-unsaturated ketonesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrolesvinylogous amides |
|---|
| Substituents | vinylogous amidearomatic heteromonocyclic compoundazacycleheteroaromatic compoundalpha,beta-unsaturated ketoneorganic oxidepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundaryl ketone |
|---|
