| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:30:20 UTC |
|---|
| Update Date | 2025-03-21 18:41:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00134829 |
|---|
| Frequency | 18.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H12O |
|---|
| Molecular Mass | 172.0888 |
|---|
| SMILES | C=CC(=O)C(C)=Cc1ccccc1 |
|---|
| InChI Key | SIHQIEUHEDFBOK-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 |
|---|
