| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:42:51 UTC |
|---|
| Update Date | 2025-03-25 00:47:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02162091 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C22H18O8 |
|---|
| Molecular Mass | 410.1002 |
|---|
| SMILES | O=C(O)C1OC(OC2=CC=c3oc(c4ccc5ccccc5c34)=C2)C(O)C(O)C1O |
|---|
| InChI Key | VFSHFAQLRCDQQF-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 acidsfuransglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesisobenzofuransmonocarboxylic acids and derivativesmonosaccharidesnaphthalenesnaphthofuransorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
|---|
| Substituents | furancarbonyl groupcarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesnaphthofuranheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativesnaphthalenepyransecondary alcoholhydrocarbon derivativebenzenoidisobenzofuran |
|---|
