| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 02:22:05 UTC |
|---|
| Update Date | 2025-03-21 20:54:00 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00395352 |
|---|
| Frequency | 4.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H7NO2 |
|---|
| Molecular Mass | 137.0477 |
|---|
| SMILES | CC(=O)C(=O)c1ccc[nH]1 |
|---|
| InChI Key | IUDRSCTVPATTDQ-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-diketonesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
|---|
| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundalpha-diketoneorganic oxidepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundaryl ketone |
|---|
