| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 08:39:50 UTC |
|---|
| Update Date | 2025-03-25 00:22:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01299213 |
|---|
| Frequency | 1.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H6O2 |
|---|
| Molecular Mass | 110.0368 |
|---|
| SMILES | C=CC=CC(=O)C=O |
|---|
| InChI Key | ZRZMALALNQXOOZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | medium-chain aldehydes |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acryloyl compoundsalpha ketoaldehydesenoneshydrocarbon derivativesketonesorganic oxides |
|---|
| Substituents | aliphatic acyclic compoundalpha,beta-unsaturated ketonemedium-chain aldehydeketoneorganic oxidehydrocarbon derivativeacryloyl-groupalpha-ketoaldehydeenone |
|---|
