| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-21 00:15:33 UTC |
|---|
| Update Date | 2025-03-21 18:34:08 UTC |
|---|
| HMDB ID | HMDB0033591 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00099396 |
|---|
| Name | Safrole |
|---|
| Frequency | 27.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H10O2 |
|---|
| Molecular Mass | 162.0681 |
|---|
| SMILES | C=CCc1ccc2c(c1)OCO2 |
|---|
| InChI Key | ZMQAAUBTXCXRIC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzodioxoles |
|---|
| Subclass | benzodioxoles |
|---|
| Direct Parent | benzodioxoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | acetalsbenzenoidshydrocarbon derivativesorganooxygen compoundsoxacyclic compounds |
|---|
| Substituents | oxacycleorganic oxygen compoundacetalaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganooxygen compoundbenzodioxole |
|---|
