| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:54:01 UTC |
|---|
| Update Date | 2025-03-21 18:04:04 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00048187 |
|---|
| Frequency | 68.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H20O |
|---|
| Molecular Mass | 192.1514 |
|---|
| SMILES | CC(CO)Cc1cccc(C(C)C)c1 |
|---|
| InChI Key | JMNQLAMETZEKBK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | cumenes |
|---|
| Direct Parent | cumenes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesphenylpropanesprimary alcohols |
|---|
| Substituents | phenylpropanealcoholaromatic homomonocyclic compoundorganic oxygen compoundcumenehydrocarbon derivativeprimary alcoholorganooxygen compound |
|---|
