| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:02:00 UTC |
|---|
| Update Date | 2025-03-21 18:07:04 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00066911 |
|---|
| Frequency | 45.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H10O2 |
|---|
| Molecular Mass | 126.0681 |
|---|
| SMILES | CC(=O)C1=C(O)CCC1 |
|---|
| InChI Key | QUCMAYRRXIJDEI-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 |
|---|
