| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:44:16 UTC |
|---|
| Update Date | 2025-03-21 18:00:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00024921 |
|---|
| Frequency | 155.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9ClO2 |
|---|
| Molecular Mass | 184.0291 |
|---|
| SMILES | CC(C(=O)O)c1cccc(Cl)c1 |
|---|
| InChI Key | YRUBJDXEYFCYCX-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 oxidesorganochlorides |
|---|
| Substituents | aryl chloridechlorobenzenemonocyclic benzene moietycarbonyl groupcarboxylic acidorganochloridecarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compound2-phenylpropanoic-acidhydrocarbon derivativebenzenoidhalobenzeneorganooxygen compound |
|---|
