| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:05:33 UTC |
|---|
| Update Date | 2025-03-25 00:55:48 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02214214 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H18O2 |
|---|
| Molecular Mass | 206.1307 |
|---|
| SMILES | CCc1cc2c(cc1C)OCC(C)(C)O2 |
|---|
| InChI Key | XKLMZCUQVGLPKK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzodioxanes |
|---|
| Subclass | benzo-1,4-dioxanes |
|---|
| Direct Parent | benzo-1,4-dioxanes |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersbenzenoidshydrocarbon derivativesoxacyclic compoundspara dioxins |
|---|
| Substituents | benzo-1,4-dioxaneetheralkyl aryl etheroxacycleorganic oxygen compoundpara-dioxinaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
