| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:38:15 UTC |
|---|
| Update Date | 2025-03-21 17:57:58 UTC |
|---|
| HMDB ID | HMDB0041678 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00011409 |
|---|
| Name | 4'-O-Methylequol |
|---|
| Frequency | 405.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H16O3 |
|---|
| Molecular Mass | 256.1099 |
|---|
| SMILES | COc1ccc(C2COc3cc(O)ccc3C2)cc1 |
|---|
| InChI Key | FPRFNXQLWQOWED-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | isoflavonoids |
|---|
| Subclass | o-methylated isoflavonoids |
|---|
| Direct Parent | 4'-o-methylated isoflavonoids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisoleshydrocarbon derivativesisoflavanolsmethoxybenzenesoxacyclic compoundsphenoxy compounds |
|---|
| Substituents | isoflavanphenol ethermonocyclic benzene moietyetherbenzopyran1-benzopyranisoflavanol1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethermethoxybenzeneoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundanisolechromanehydrocarbon derivativebenzenoidphenoxy compoundorganoheterocyclic compound4p-methoxyisoflavonoidorganooxygen compound |
|---|
