| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 13:01:52 UTC |
|---|
| Update Date | 2025-03-24 21:53:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01923857 |
|---|
| Frequency | 0.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12O2 |
|---|
| Molecular Mass | 140.0837 |
|---|
| SMILES | CCC(=O)C1=C(O)CCC1 |
|---|
| InChI Key | NMYBENGPRMBPEH-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 | hydrocarbon derivativesketonesorganic oxides |
|---|
| Substituents | ketonevinylogous acidcarbonyl grouporganic oxideorganic oxygen compoundaliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compound |
|---|
