| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:41:04 UTC |
|---|
| Update Date | 2025-03-21 17:58:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00017718 |
|---|
| Frequency | 236.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H11Cl3O2 |
|---|
| Molecular Mass | 279.9825 |
|---|
| SMILES | CCC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl |
|---|
| InChI Key | UCXKKRMHRMTKQF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzyloxycarbonyls |
|---|
| Direct Parent | benzyloxycarbonyls |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl chloridescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochlorides |
|---|
| Substituents | benzyloxycarbonylcarbonyl groupalkyl chlorideorganochloridecarboxylic acid derivativeorganohalogen compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteralkyl halidehydrocarbon derivativeorganooxygen compound |
|---|
