| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:42:34 UTC |
|---|
| Update Date | 2025-03-21 17:59:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00021071 |
|---|
| Frequency | 190.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H16O5 |
|---|
| Molecular Mass | 228.0998 |
|---|
| SMILES | O=C1CCC(CCC2CC(O)CC(=O)O2)O1 |
|---|
| InChI Key | VKEMJKDBAHLULL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | lactones |
|---|
| Subclass | delta valerolactones |
|---|
| Direct Parent | delta valerolactones |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanessecondary alcoholstetrahydrofurans |
|---|
| Substituents | alcoholcarbonyl grouptetrahydrofurandelta valerolactonecarboxylic acid derivativegamma butyrolactoneoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeoxanedelta_valerolactoneorganooxygen compound |
|---|
