| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:44:10 UTC |
|---|
| Update Date | 2025-03-25 00:47:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02165129 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H14O3 |
|---|
| Molecular Mass | 194.0943 |
|---|
| SMILES | CC=CC(=O)C1=C(O)C(=O)CC1(C)C |
|---|
| InChI Key | NSNHPDVQNOQZMK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | vinylogous acids |
|---|
| Subclass | vinylogous acids |
|---|
| Direct Parent | vinylogous acids |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha,beta-unsaturated ketonescyclic ketoneshydrocarbon derivativesorganic oxides |
|---|
| Substituents | ketonevinylogous acidcarbonyl grouporganic oxideorganic oxygen compoundaliphatic homomonocyclic compoundhydrocarbon derivativecyclic ketonealpha,beta-unsaturated ketoneorganooxygen compound |
|---|
