| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:13:16 UTC |
|---|
| Update Date | 2025-03-21 18:33:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00093873 |
|---|
| Frequency | 29.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C21H32O3 |
|---|
| Molecular Mass | 332.2351 |
|---|
| SMILES | CC1=CCCC(C)(C)C12C=CC(C)C2CCC1CC(O)CC(=O)O1 |
|---|
| InChI Key | QSEHBFDVICYLEY-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 estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
|---|
| Substituents | alcoholcarbonyl groupdelta valerolactonecarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeoxanedelta_valerolactoneorganooxygen compound |
|---|
