| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:00:45 UTC |
|---|
| Update Date | 2025-03-25 00:53:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02202947 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H20O9 |
|---|
| Molecular Mass | 356.1107 |
|---|
| SMILES | O=C1Cc2cc(O)cc(O)c2CC1OC1OC(CO)C(O)C(O)C1O |
|---|
| InChI Key | UFBQYWJWICCMJD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | tetralins |
|---|
| Subclass | tetralins |
|---|
| Direct Parent | tetralins |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalscyclic ketoneshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
|---|
| Substituents | alcoholtetralincarbonyl group1-hydroxy-2-unsubstituted benzenoidmonosaccharidecyclic ketone1-hydroxy-4-unsubstituted benzenoidketoneoxacyclesaccharideorganic oxideorganic oxygen compoundacetalaromatic heteropolycyclic compoundsecondary alcoholhydrocarbon derivativeoxaneprimary alcoholorganoheterocyclic compoundorganooxygen compound |
|---|