| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 05:34:33 UTC |
|---|
| Update Date | 2025-03-24 14:29:19 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00853914 |
|---|
| Frequency | 1.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H6O2 |
|---|
| Molecular Mass | 110.0368 |
|---|
| SMILES | CC(=O)C=C=CC=O |
|---|
| InChI Key | PNHHLTCSHCMSMX-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 compoundsenoneshydrocarbon derivativesketonesorganic oxides |
|---|
| Substituents | ketonealiphatic acyclic compoundorganic oxidehydrocarbon derivativeacryloyl-groupmedium-chain aldehydeenone |
|---|
