| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:51 UTC |
|---|
| Update Date | 2025-03-25 00:50:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02180452 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H20O9 |
|---|
| Molecular Mass | 380.1107 |
|---|
| SMILES | COc1cc2cc(OC3OC(CO)C(O)C(O)C3O)ccc2c2c1OCO2 |
|---|
| InChI Key | QRXXFTYWRTXURZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | naphthalenes |
|---|
| Subclass | naphthalenes |
|---|
| Direct Parent | naphthalenes |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | acetalsalkyl aryl ethersanisolesbenzodioxoleshydrocarbon derivativesmonosaccharidesoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
|---|
| Substituents | alcoholphenol etherethermonosaccharidealkyl aryl etheroxacyclesaccharidenaphthaleneorganic oxygen compoundacetalaromatic heteropolycyclic compoundanisolesecondary alcoholhydrocarbon derivativeoxaneprimary alcoholorganoheterocyclic compoundorganooxygen compoundbenzodioxole |
|---|
