| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:04:51 UTC |
|---|
| Update Date | 2025-03-25 00:55:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02212596 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H18O3 |
|---|
| Molecular Mass | 198.1256 |
|---|
| SMILES | CCCCCC=CC1CC(O)C(=O)O1 |
|---|
| InChI Key | PABUPATUKVSSIA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | lactones |
|---|
| Subclass | gamma butyrolactones |
|---|
| Direct Parent | gamma butyrolactones |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
|---|
| Substituents | alcoholcarbonyl grouptetrahydrofurancarboxylic acid derivativegamma butyrolactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
|---|
