| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:09:24 UTC |
|---|
| Update Date | 2025-03-21 18:31:12 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00084679 |
|---|
| Frequency | 33.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H12O7 |
|---|
| Molecular Mass | 304.0583 |
|---|
| SMILES | O=C1c2c(O)cc(O)cc2OCC1c1cc(O)c(O)c(O)c1 |
|---|
| InChI Key | UDWKJPYKCBVQIZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | isoflavonoids |
|---|
| Subclass | isoflavans |
|---|
| Direct Parent | isoflavanols |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersaryl alkyl ketonesbenzene and substituted derivativeschromoneshydrocarbon derivativesisoflavanonesorganic oxidesoxacyclic compoundspyrogallols and derivativesvinylogous acids |
|---|
| Substituents | monocyclic benzene moietyetheraryl alkyl ketone1-benzopyranisoflavanol1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherisoflavanoneketoneorganic oxidechromonearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundbenzopyranpyrogallol derivativebenzenetriol1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
|---|
