| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:11:27 UTC |
|---|
| Update Date | 2025-03-25 00:57:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02227586 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H18O2 |
|---|
| Molecular Mass | 206.1307 |
|---|
| SMILES | CC(=O)CC(O)c1cccc(C(C)C)c1 |
|---|
| InChI Key | POHMRUFLGKNFHQ-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 | aromatic alcoholsbeta-hydroxy ketoneshydrocarbon derivativesorganic oxidesphenylpropanessecondary alcohols |
|---|
| Substituents | aromatic alcoholalcoholbeta-hydroxy ketonecarbonyl groupketonephenylpropanearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundsecondary alcoholcumenehydrocarbon derivativeorganooxygen compound |
|---|
