| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:00:48 UTC |
|---|
| Update Date | 2025-03-21 18:06:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00064042 |
|---|
| Frequency | 48.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H18O2 |
|---|
| Molecular Mass | 206.1307 |
|---|
| SMILES | COc1ccc(C2(O)CCCCC2)cc1 |
|---|
| InChI Key | FLYAGGNZYBWGJK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenol ethers |
|---|
| Subclass | anisoles |
|---|
| Direct Parent | anisoles |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl etherscyclic alcohols and derivativescyclohexanolshydrocarbon derivativesmethoxybenzenesphenoxy compoundstertiary alcohols |
|---|
| Substituents | alcoholmonocyclic benzene moietyethercyclohexanolcyclic alcoholalkyl aryl ethermethoxybenzenearomatic homomonocyclic compoundtertiary alcoholorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
