| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:49:37 UTC |
|---|
| Update Date | 2025-03-21 18:02:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00037651 |
|---|
| Frequency | 93.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H7ClO2 |
|---|
| Molecular Mass | 182.0135 |
|---|
| SMILES | O=C(O)C=Cc1ccc(Cl)cc1 |
|---|
| InChI Key | GXLIFJYFGMHYDY-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 | aryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochlorides |
|---|
| Substituents | aryl chloridechlorobenzenemonocyclic benzene moietycarbonyl groupcarboxylic acidorganochloridecarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundcinnamic acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidhalobenzeneorganooxygen compound |
|---|
