| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:39 UTC |
|---|
| Update Date | 2025-03-25 00:46:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02155042 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H20O |
|---|
| Molecular Mass | 240.1514 |
|---|
| SMILES | Cc1ccc(C=CC2C=CC(=O)CC2(C)C)cc1 |
|---|
| InChI Key | XDFIGJIGTMBGEI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | toluenes |
|---|
| Direct Parent | toluenes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | cyclohexenoneshydrocarbon derivativesorganic oxides |
|---|
| Substituents | cyclohexenonecarbonyl groupcyclic ketoneketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundhydrocarbon derivativetolueneorganooxygen compound |
|---|
