| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:40 UTC |
|---|
| Update Date | 2025-03-25 00:50:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02180040 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H19NO5 |
|---|
| Molecular Mass | 317.1263 |
|---|
| SMILES | COc1cc(CC2NCCc3cc(O)c(O)cc32)cc(O)c1O |
|---|
| InChI Key | AXBXAWRBRCYLPE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | isoquinolines and derivatives |
|---|
| Subclass | benzylisoquinolines |
|---|
| Direct Parent | benzylisoquinolines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesazacyclic compoundsdialkylamineshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganopnictogen compoundsphenoxy compoundstetrahydroisoquinolines |
|---|
| Substituents | phenol ethermonocyclic benzene moietyethermethoxyphenol1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheraromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundsecondary aliphatic amineazacycle1-hydroxy-4-unsubstituted benzenoidsecondary aminemethoxybenzenebenzylisoquinolineorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
|---|
