| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:44:36 UTC |
|---|
| Update Date | 2025-03-25 00:48:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02166145 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H28O5 |
|---|
| Molecular Mass | 312.1937 |
|---|
| SMILES | CC1COC2CC(O)CCC2C1CCC1CC(O)CC(=O)O1 |
|---|
| InChI Key | BSOQAWKMSMPVCB-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 esterscyclic alcohols and derivativesdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
|---|
| Substituents | alcoholcarbonyl groupetherdelta valerolactonecyclic alcoholcarboxylic acid derivativedialkyl etheraliphatic heteropolycyclic compoundoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeoxanedelta_valerolactoneorganooxygen compound |
|---|
