| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:54:53 UTC |
|---|
| Update Date | 2025-03-25 00:51:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02189679 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C20H28O8 |
|---|
| Molecular Mass | 396.1784 |
|---|
| SMILES | CC(C)Cc1ccc(C(C)C(=O)OC2COC(C(=O)O)C(O)C(O)C2O)cc1 |
|---|
| InChI Key | RFUSCMGUTBHSSK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | prenol lipids |
|---|
| Subclass | monoterpenoids |
|---|
| Direct Parent | aromatic monoterpenoids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | beta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkyl ethersdicarboxylic acids and derivativeshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxidesoxacyclic compoundsoxepanesphenylpropanessecondary alcohols |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidethercarboxylic acidaromatic heteromonocyclic compoundp-cymenecarboxylic acid derivativedialkyl etherphenylpropanebeta-hydroxy acidorganic oxideorganoheterocyclic compoundalcoholhydroxy acidoxepaneoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
|---|
