| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:00:45 UTC |
|---|
| Update Date | 2025-03-21 18:06:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00063930 |
|---|
| Frequency | 48.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H26O13 |
|---|
| Molecular Mass | 450.1373 |
|---|
| SMILES | OCC1OC(OCC2OC(Oc3c(O)cccc3O)C(O)C(O)C2O)C(O)C(O)C1O |
|---|
| InChI Key | MKNSQDYMJIBUSD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | benzenediols |
|---|
| Direct Parent | resorcinols |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalshydrocarbon derivativesmonosaccharidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsprimary alcoholssecondary alcohols |
|---|
| Substituents | alcoholphenol ethermonocyclic benzene moietyaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharide1-hydroxy-4-unsubstituted benzenoidresorcinoloxacyclesaccharideorganic oxygen compoundacetalsecondary alcoholhydrocarbon derivativephenoxy compoundoxaneprimary alcoholorganoheterocyclic compoundorganooxygen compound |
|---|
