| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 01:59:07 UTC |
|---|
| Update Date | 2025-03-21 20:09:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00340934 |
|---|
| Frequency | 5.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H8O3 |
|---|
| Molecular Mass | 128.0473 |
|---|
| SMILES | CC=CC(=O)C(O)C=O |
|---|
| InChI Key | SEKKCLBDZXJOEM-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 | 1,3-dicarbonyl compoundsacryloyl compoundsacyloinsalpha-hydroxy ketonesalpha-hydroxyaldehydesbeta ketoaldehydesenoneshydrocarbon derivativesorganic oxidessecondary alcohols |
|---|
| Substituents | alcoholaliphatic acyclic compoundbeta-ketoaldehydealpha,beta-unsaturated ketonealpha-hydroxy ketonemedium-chain aldehydeketoneorganic oxidealpha-hydroxyaldehydeacyloinsecondary alcoholhydrocarbon derivativeacryloyl-group1,3-dicarbonyl compoundenone |
|---|
