| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:43:16 UTC |
|---|
| Update Date | 2025-03-25 00:47:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02163047 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C20H20O10 |
|---|
| Molecular Mass | 420.1056 |
|---|
| SMILES | O=C(CCC(=O)OC1OC(C(=O)O)C(O)C(O)C1O)Oc1cccc2ccccc12 |
|---|
| InChI Key | VEAOXYWFSUBCBS-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 | acetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estersglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesnaphthalenesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acido-glucuronidemonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclefatty acid esternaphthalenepyrancarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoid |
|---|
