| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:05:09 UTC |
|---|
| Update Date | 2025-03-25 00:55:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02213282 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H18N2O3 |
|---|
| Molecular Mass | 250.1317 |
|---|
| SMILES | CN1CCc2cc(O)c(O)cc2C1CCC(=N)O |
|---|
| InChI Key | FMWDSXWDUMFYLA-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 benzenoidsaralkylaminesazacyclic compoundsbenzenoidscarboximidic acidshydrocarbon derivativesorganooxygen compoundsorganopnictogen compoundstrialkylamines |
|---|
| Substituents | carboximidic acidazacycletertiary aliphatic amine1-hydroxy-2-unsubstituted benzenoidaralkylamineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundaminetertiary amineorganooxygen compound |
|---|
