| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:27:16 UTC |
|---|
| Update Date | 2025-03-21 18:39:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00127692 |
|---|
| Frequency | 20.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H20O3 |
|---|
| Molecular Mass | 272.1412 |
|---|
| SMILES | OCC(Cc1ccccc1)C(O)Cc1cccc(O)c1 |
|---|
| InChI Key | PTLUWMUJNVKVBN-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 benzenoidsbenzene and substituted derivativeshydrocarbon derivativesprimary alcoholssecondary alcohols |
|---|
| Substituents | alcoholmonocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoidnorlignan skeleton1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidprimary alcoholorganooxygen compound |
|---|
