| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:47:41 UTC |
|---|
| Update Date | 2025-03-25 00:49:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02173162 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H18O |
|---|
| Molecular Mass | 202.1358 |
|---|
| SMILES | CCC(C)C(=O)C(C)=Cc1ccccc1 |
|---|
| InChI Key | MBOLKMNSPSSLNB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | cinnamic acids and derivatives |
|---|
| Subclass | cinnamic acids and derivatives |
|---|
| Direct Parent | cinnamic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | acryloyl compoundsalpha-branched alpha,beta-unsaturated ketonesbenzene and substituted derivativesenoneshydrocarbon derivativesketonesorganic oxides |
|---|
| Substituents | alpha-branched alpha,beta-unsaturated-ketonemonocyclic benzene moietycarbonyl groupalpha,beta-unsaturated ketoneketonearomatic homomonocyclic compoundcinnamic acid or derivativesorganic oxideorganic oxygen compoundhydrocarbon derivativebenzenoidacryloyl-grouporganooxygen compoundenone |
|---|
