| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 11:49:00 UTC |
|---|
| Update Date | 2025-03-24 21:21:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01751847 |
|---|
| Frequency | 0.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12O2 |
|---|
| Molecular Mass | 140.0837 |
|---|
| SMILES | CC1(C)C2COC(=O)C1C2 |
|---|
| InChI Key | ZPCDITJWTIKHMR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | lactones |
|---|
| Subclass | delta valerolactones |
|---|
| Direct Parent | delta valerolactones |
|---|
| Geometric Descriptor | aliphatic heteropolycyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanes |
|---|
| Substituents | carbonyl groupdelta valerolactonecarboxylic acid derivativealiphatic heteropolycyclic compoundoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeoxanedelta_valerolactoneorganooxygen compound |
|---|
