| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:47:16 UTC |
|---|
| Update Date | 2025-03-21 18:01:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00031983 |
|---|
| Frequency | 114.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14O3 |
|---|
| Molecular Mass | 206.0943 |
|---|
| SMILES | COc1ccc(C=CC(C)=O)cc1OC |
|---|
| InChI Key | XUYBNDHXZMIALN-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 compoundsalkyl aryl ethersanisolesdimethoxybenzenesenoneshydrocarbon derivativesketonesorganic oxidesphenoxy compounds |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheralkyl aryl etheralpha,beta-unsaturated ketonemethoxybenzeneketonearomatic homomonocyclic compounddimethoxybenzenecinnamic acid or derivativesorganic oxideorganic oxygen compoundanisoleo-dimethoxybenzenehydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundorganooxygen compoundenone |
|---|
