| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:29:39 UTC |
|---|
| Update Date | 2025-03-21 18:41:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00133301 |
|---|
| Frequency | 18.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H18O |
|---|
| Molecular Mass | 202.1358 |
|---|
| SMILES | C=CC(=O)c1c(C)ccc(C)c1C(C)C |
|---|
| InChI Key | ICHQMQFLYJEVGC-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 | alpha,beta-unsaturated ketonesaryl ketonesbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsphenylpropanesp-xylenes |
|---|
| Substituents | benzoylalpha,beta-unsaturated ketoneketonephenylpropanearomatic homomonocyclic compoundxyleneorganic oxidep-xyleneorganic oxygen compoundcumenehydrocarbon derivativeorganooxygen compoundaryl ketone |
|---|
