| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:00:00 UTC |
|---|
| Update Date | 2025-03-25 00:53:41 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02201292 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H20O12 |
|---|
| Molecular Mass | 440.0955 |
|---|
| SMILES | COc1ccc(C2CC(=O)C=C(C(=O)O)O2)cc1OC1OC(C(=O)O)C(O)C(O)C1O |
|---|
| InChI Key | JDJQUFJKJQOAKP-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 heteromonocyclic compounds |
|---|
| Alternative Parents | acetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarboxylic acidscyclic ketonesdicarboxylic acids and derivativesdihydropyranonesglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholsvinylogous esters |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compounddihydropyranoneo-glucuronidemonosaccharidecyclic ketonealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalpyranoneoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesvinylogous esterhydroxy acidmethoxybenzeneoxacyclepyrananisolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compound |
|---|
