| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:05:45 UTC |
|---|
| Update Date | 2025-03-25 00:55:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02214653 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H13Cl2NO |
|---|
| Molecular Mass | 245.0374 |
|---|
| SMILES | CC1c2cc(Cl)c(Cl)c(O)c2CCN1C |
|---|
| InChI Key | UNCXBFSJQYXJPM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | tetrahydroisoquinolines |
|---|
| Subclass | tetrahydroisoquinolines |
|---|
| Direct Parent | tetrahydroisoquinolines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsaralkylaminesaryl chloridesazacyclic compoundsbenzenoidshydrocarbon derivativesorganochloridesorganooxygen compoundsorganopnictogen compoundstrialkylamines |
|---|
| Substituents | aryl chlorideazacycleorganochloridetertiary aliphatic amine1-hydroxy-4-unsubstituted benzenoidorganohalogen compoundaralkylaminearyl halideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundaminetertiary amineorganooxygen compound |
|---|
