| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:57:29 UTC |
|---|
| Update Date | 2025-03-21 18:05:18 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00056187 |
|---|
| Frequency | 56.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C23H34O5 |
|---|
| Molecular Mass | 390.2406 |
|---|
| SMILES | CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(CCC3CC(O)CC(=O)O3)C21 |
|---|
| InChI Key | IKMCCKXYVOLMRD-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 estersdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
|---|
| Substituents | alcoholfatty acylcarbonyl groupdelta valerolactonecarboxylic acid derivativealiphatic heteropolycyclic compoundoxacyclefatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeoxanedelta_valerolactoneorganooxygen compound |
|---|
