| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:10:35 UTC |
|---|
| Update Date | 2025-03-25 00:57:34 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02225708 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H13ClO2 |
|---|
| Molecular Mass | 212.0604 |
|---|
| SMILES | CC(C)(CC(=O)O)c1ccccc1Cl |
|---|
| InChI Key | GYJAFVHOCOYQPB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | phenylpropanoic acids |
|---|
| Subclass | phenylpropanoic acids |
|---|
| Direct Parent | phenylpropanoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenylpropanes |
|---|
| Substituents | aryl chloridechlorobenzenemonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganochloridecarboxylic acid derivativeorganohalogen compoundaryl halidephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidhalobenzeneorganooxygen compound |
|---|
