| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:51:34 UTC |
|---|
| Update Date | 2025-03-21 18:03:07 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00042263 |
|---|
| Frequency | 80.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H13NO2 |
|---|
| Molecular Mass | 191.0946 |
|---|
| SMILES | CN1CCc2cc3c(cc2C1)OCO3 |
|---|
| InChI Key | XNZFFRJWTVYMBF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | tetrahydroisoquinolines |
|---|
| Subclass | tetrahydroisoquinolines |
|---|
| Direct Parent | tetrahydroisoquinolines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | acetalsaralkylaminesazacyclic compoundsbenzenoidsbenzodioxoleshydrocarbon derivativesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundstrialkylamines |
|---|
| Substituents | azacycletertiary aliphatic aminearalkylamineoxacycleorganic oxygen compoundacetalaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundaminetertiary amineorganooxygen compoundbenzodioxole |
|---|
