| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:38:20 UTC |
|---|
| Update Date | 2025-03-21 17:58:00 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00011602 |
|---|
| Frequency | 397.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H16O4 |
|---|
| Molecular Mass | 272.1049 |
|---|
| SMILES | COc1ccc(C2COc3cc(O)ccc3C2)cc1O |
|---|
| InChI Key | ZIXNVQWEKBKQCI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | isoflavonoids |
|---|
| Subclass | o-methylated isoflavonoids |
|---|
| Direct Parent | 3'-hydroxy,4'-methoxyisoflavonoids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisoleshydrocarbon derivativesisoflavanolsmethoxybenzenesmethoxyphenolsoxacyclic compoundsphenoxy compounds |
|---|
| Substituents | phenol ethermonocyclic benzene moietyether1-benzopyranisoflavanol1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheraromatic heteropolycyclic compoundchromaneorganoheterocyclic compoundisoflavanbenzopyran3'-hydroxy,4'-methoxyisoflavonoid1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacycleorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
