| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:55:14 UTC |
|---|
| Update Date | 2025-03-25 00:51:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02190422 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H18O2 |
|---|
| Molecular Mass | 218.1307 |
|---|
| SMILES | CC(=O)C=Cc1cccc(C(C)(C)C)c1O |
|---|
| InChI Key | NXQIFJUDVONOST-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | cinnamic acids and derivatives |
|---|
| Subclass | hydroxycinnamic acids and derivatives |
|---|
| Direct Parent | hydroxycinnamic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsacryloyl compoundsenoneshydrocarbon derivativesketonesorganic oxidesphenylpropanes |
|---|
| Substituents | monocyclic benzene moietycarbonyl group1-hydroxy-4-unsubstituted benzenoidalpha,beta-unsaturated ketonehydroxycinnamic acidketonephenylpropanearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundphenolhydrocarbon derivativebenzenoidacryloyl-grouporganooxygen compoundenone |
|---|
