| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:53:35 UTC |
|---|
| Update Date | 2025-03-21 18:03:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00047167 |
|---|
| Frequency | 70.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H24O8 |
|---|
| Molecular Mass | 368.1471 |
|---|
| SMILES | CC1C(Oc2ccc(CC3CCC(=O)O3)cc2)OC(C(O)O)C(O)C1O |
|---|
| InChI Key | QITBYCIWZUHBFP-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 | 1,1-diols1,2-diolsacetalscarbonyl compoundscarbonyl hydratescarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcoholstetrahydrofurans |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarbonyl hydratearomatic heteromonocyclic compoundmonosaccharidecarboxylic acid derivativelactonesaccharideorganic oxideacetaloxaneorganoheterocyclic compound1,2-diolalcoholtetrahydrofuran1,1-diolgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
