| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:58:13 UTC |
|---|
| Update Date | 2025-03-21 18:05:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00057946 |
|---|
| Frequency | 54.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H24O6 |
|---|
| Molecular Mass | 336.1573 |
|---|
| SMILES | CC1C(Oc2cccc(CC3CCC(=O)O3)c2)OC(C(O)O)C1C |
|---|
| InChI Key | OWCVKNWCRNHFBC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenol ethers |
|---|
| Subclass | phenol ethers |
|---|
| Direct Parent | phenol ethers |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetalscarbonyl compoundscarbonyl hydratescarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarbonyl hydratearomatic heteromonocyclic compoundtetrahydrofurancarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalcarboxylic acid esterhydrocarbon derivativephenoxy compoundorganoheterocyclic compoundorganooxygen compound |
|---|
