| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:55:43 UTC |
|---|
| Update Date | 2025-03-21 18:04:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00052144 |
|---|
| Frequency | 62.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H10O6 |
|---|
| Molecular Mass | 298.0477 |
|---|
| SMILES | COc1cc2c(cc1O)oc(=O)c1c3ccc(O)cc3oc21 |
|---|
| InChI Key | XDYUXZHVWGROBP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | isoflavonoids |
|---|
| Subclass | coumestans |
|---|
| Direct Parent | coumestans |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersangular furanocoumarinsanisolesbenzofuransfuransfuropyransheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesoxacyclic compoundspyranones and derivatives |
|---|
| Substituents | furanphenol etherether1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherlactoneorganic oxidearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundfuranocoumarinbenzopyranbenzofuranheteroaromatic compoundfuropyrancoumarinangular furanocoumarinoxacycleorganic oxygen compoundpyrananisolecoumestanhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
