| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 10:54:24 UTC |
|---|
| Update Date | 2025-03-24 20:56:44 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01620083 |
|---|
| Frequency | 0.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H7NO2 |
|---|
| Molecular Mass | 137.0477 |
|---|
| SMILES | O=CCc1ccc(C=O)[nH]1 |
|---|
| InChI Key | OOISUXHXDXOAQT-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | aryl-aldehydes |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha-hydrogen aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
|---|
| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic oxidearyl-aldehydealpha-hydrogen aldehydepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compound |
|---|
