| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:44:28 UTC |
|---|
| Update Date | 2025-03-25 00:48:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02165830 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C27H34O6 |
|---|
| Molecular Mass | 454.2355 |
|---|
| SMILES | CC1C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C2C(OC(=O)Cc2ccc(O)cc2)C1 |
|---|
| InChI Key | UANZNJKQVXWUBK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | lactones |
|---|
| Subclass | delta valerolactones |
|---|
| Direct Parent | delta valerolactones |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
|---|
| Substituents | alcoholmonocyclic benzene moietycarbonyl groupdelta valerolactone1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidoxanedelta_valerolactoneorganooxygen compound |
|---|
