| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 01:28:30 UTC |
|---|
| Update Date | 2025-03-21 19:18:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00270138 |
|---|
| Frequency | 7.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H8O4 |
|---|
| Molecular Mass | 144.0423 |
|---|
| SMILES | CC1(O)CCOC(=O)C1=O |
|---|
| InChI Key | BXFQCULNNKCLKJ-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 | acyloinscarboxylic acid esterscyclic ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanestertiary alcohols |
|---|
| Substituents | alcoholcarbonyl groupdelta valerolactonecyclic ketonecarboxylic acid derivativeketoneoxacycletertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacyloincarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeoxanedelta_valerolactoneorganooxygen compound |
|---|
