| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 05:48:06 UTC |
|---|
| Update Date | 2025-03-24 14:35:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00885843 |
|---|
| Frequency | 1.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H6O4 |
|---|
| Molecular Mass | 142.0266 |
|---|
| SMILES | CC(=O)C(C=O)=CC(=O)O |
|---|
| InChI Key | GETJWGJPPFONHQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acids and conjugates |
|---|
| Direct Parent | branched fatty acids |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acryloyl compoundsalpha-branched alpha,beta-unsaturated ketonesbeta ketoaldehydescarboxylic acidsenoneshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesunsaturated fatty acids |
|---|
| Substituents | alpha-branched alpha,beta-unsaturated-ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidbeta-ketoaldehydealdehydealpha,beta-unsaturated ketonecarboxylic acid derivativebranched fatty acidketoneunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
|---|
