| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:15:34 UTC |
|---|
| Update Date | 2025-03-25 00:59:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02236859 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H16O6 |
|---|
| Molecular Mass | 304.0947 |
|---|
| SMILES | O=C(CC(O)Cc1cc(O)cc(O)c1)c1cc(O)cc(O)c1 |
|---|
| InChI Key | AUUCWXNBQLOPIM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lignans, neolignans and related compounds |
|---|
| Class | Not Available |
|---|
| Subclass | lignans, neolignans and related compounds |
|---|
| Direct Parent | lignans, neolignans and related compounds |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl-phenylketonesaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbutyrophenoneshydrocarbon derivativesorganic oxidesresorcinolssecondary alcohols |
|---|
| Substituents | alcoholbeta-hydroxy ketonemonocyclic benzene moietyaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidnorlignan skeleton1-hydroxy-4-unsubstituted benzenoidphenylketoneresorcinolketonebutyrophenonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidalkyl-phenylketoneorganooxygen compoundaryl ketone |
|---|
