| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 09:45:22 UTC |
|---|
| Update Date | 2025-03-24 20:27:45 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01454769 |
|---|
| Frequency | 0.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H6O3 |
|---|
| Molecular Mass | 126.0317 |
|---|
| SMILES | O=C=C(O)CC=CC=O |
|---|
| InChI Key | HZXVTXRXAJFCNH-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 | hydrocarbon derivativesorganic oxidesynolates |
|---|
| Substituents | aliphatic acyclic compoundorganic oxideynolatehydrocarbon derivativemedium-chain aldehyde |
|---|
