| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:02:46 UTC |
|---|
| Update Date | 2025-03-25 00:54:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02207567 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H20O5 |
|---|
| Molecular Mass | 316.1311 |
|---|
| SMILES | O=C(CC(O)C(CO)Cc1cccc(O)c1)c1cccc(O)c1 |
|---|
| InChI Key | JEWZMEKMNWBKSI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alkyl-phenylketones |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbutyrophenonesfatty alcoholshydrocarbon derivativesorganic oxidesprimary alcoholssecondary alcohols |
|---|
| Substituents | alcoholfatty acylbeta-hydroxy ketonemonocyclic benzene moietyaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidbutyrophenonearomatic homomonocyclic compoundorganic oxidefatty alcoholsecondary alcoholphenolhydrocarbon derivativebenzenoidprimary alcoholalkyl-phenylketone |
|---|
