| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:53:43 UTC |
|---|
| Update Date | 2025-03-25 00:51:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02187010 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H8ClNO2 |
|---|
| Molecular Mass | 209.0244 |
|---|
| SMILES | CC(C(=O)O)c1ccc(C#N)cc1Cl |
|---|
| InChI Key | FAQWXNZEYFKCNT-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 | aromatic monoterpenoidsaryl chloridesbenzonitrilescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsnitrilesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidnitrilecarboxylic acidorganochloridep-cymenecarboxylic acid derivativeorganohalogen compoundorganic oxide2-phenylpropanoic-acidorganonitrogen compoundorganopnictogen compoundcarbonitrilearyl chloridechlorobenzenebenzonitrilearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compoundaromatic monoterpenoid |
|---|
