| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:11:36 UTC |
|---|
| Update Date | 2025-03-25 00:57:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02227936 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H18O |
|---|
| Molecular Mass | 202.1358 |
|---|
| SMILES | C=CC(=O)CCCCc1ccccc1C |
|---|
| InChI Key | QHYYPFXHMQPOOR-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 | acryloyl compoundsenoneshydrocarbon derivativesketonesorganic oxides |
|---|
| Substituents | carbonyl groupalpha,beta-unsaturated ketoneketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundhydrocarbon derivativeacryloyl-grouptolueneorganooxygen compoundenone |
|---|
