| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:21:27 UTC |
|---|
| Update Date | 2025-03-25 01:01:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02250416 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H13Cl2NO3 |
|---|
| Molecular Mass | 289.0272 |
|---|
| SMILES | O=C(O)N1CCC(O)(c2ccc(Cl)c(Cl)c2)CC1 |
|---|
| InChI Key | NCERPVNVVMTOQP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | piperidines |
|---|
| Subclass | phenylpiperidines |
|---|
| Direct Parent | phenylpiperidines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | aryl chloridesazacyclic compoundscarbamic acidscarbonyl compoundsdichlorobenzeneshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundspiperidinecarboxylic acidstertiary alcohols |
|---|
| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundcarbamic acidorganochlorideorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acid1,2-dichlorobenzenearyl chloridechlorobenzenealcoholcarbonic acid derivativeazacyclearyl halidetertiary alcoholorganic oxygen compoundphenylpiperidinehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
|---|
