| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:08:08 UTC |
|---|
| Update Date | 2025-03-21 18:30:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00081734 |
|---|
| Frequency | 35.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12ClNO |
|---|
| Molecular Mass | 197.0607 |
|---|
| SMILES | CC1NCCc2cc(Cl)c(O)cc21 |
|---|
| InChI Key | JEJGCOUHBCKPSE-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-2-unsubstituted benzenoidsaryl chloridesazacyclic compoundsbenzenoidsdialkylamineshydrocarbon derivativesorganochloridesorganooxygen compoundsorganopnictogen compounds |
|---|
| Substituents | aryl chloridesecondary aliphatic amineazacycleorganochloride1-hydroxy-2-unsubstituted benzenoidsecondary amineorganohalogen compoundaryl halideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
|---|
