| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:00:04 UTC |
|---|
| Update Date | 2025-03-25 00:53:42 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02201449 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H18O9 |
|---|
| Molecular Mass | 366.0951 |
|---|
| SMILES | COc1c(O)ccc2c(OC3OC(C(=O)O)C(O)C(O)C3O)cccc12 |
|---|
| InChI Key | XIGRLDCLZLXYOJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | o-glucuronides |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesnaphthols and derivativesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
|---|
| Substituents | phenol ethercarbonyl groupethercarboxylic acido-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundoxane2-naphtholorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativesnaphthalenepyrananisolesecondary alcoholhydrocarbon derivativebenzenoid |
|---|
