| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:03:16 UTC |
|---|
| Update Date | 2025-03-25 00:54:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02208762 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H20O6 |
|---|
| Molecular Mass | 296.126 |
|---|
| SMILES | CC(=O)c1ccc(C2OC(CO)C(O)C(O)C2O)cc1C |
|---|
| InChI Key | TUFLOFIAYPCJPS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alkyl-phenylketones |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetophenonesaryl alkyl ketonesbenzoyl derivativesdialkyl ethershydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssecondary alcoholstoluenes |
|---|
| Substituents | monocyclic benzene moietyetheraryl alkyl ketonearomatic heteromonocyclic compoundbenzoylmonosaccharidedialkyl ethersaccharideorganic oxideacetophenoneoxaneprimary alcoholorganoheterocyclic compoundalcoholoxacyclesecondary alcoholhydrocarbon derivativebenzenoidtoluenealkyl-phenylketone |
|---|
