| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:22:04 UTC |
|---|
| Update Date | 2025-03-21 18:37:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00115352 |
|---|
| Frequency | 22.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C20H20O9 |
|---|
| Molecular Mass | 404.1107 |
|---|
| SMILES | O=c1oc2cc(OC3OC(C(O)CO)C(O)C(O)C3O)ccc2c2ccccc12 |
|---|
| InChI Key | GQSCBOGQTIVZOP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | coumarins and derivatives |
|---|
| Subclass | coumarins and derivatives |
|---|
| Direct Parent | coumarins and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-benzopyrans2-benzopyransacetalsheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersprimary alcoholspyranones and derivativessecondary alcohols |
|---|
| Substituents | phenol ether1-benzopyranmonosaccharidelactonesaccharideorganic oxideacetalaromatic heteropolycyclic compoundpyranoneoxaneprimary alcoholorganoheterocyclic compoundalcoholbenzopyranheteroaromatic compoundisocoumarincoumarinoxacycleorganic oxygen compoundpyran2-benzopyransecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
