| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:03 UTC |
|---|
| Update Date | 2025-03-25 00:46:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02153610 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H16NO5+ |
|---|
| Molecular Mass | 314.1023 |
|---|
| SMILES | COc1ccc(C[n+]2cc3c(O)cc(O)cc3cc2O)cc1O |
|---|
| InChI Key | BQWOQVMVWRGFMG-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | isoquinolines and derivatives |
|---|
| Subclass | isoquinolines and derivatives |
|---|
| Direct Parent | isoquinolines and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-halopyridinesalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethoxybenzenesmethoxyphenolsmethylpyridinesorganic cationsorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspolyhalopyridines |
|---|
| Substituents | phenol ethermonocyclic benzene moietyetherpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheraromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationazacycleheteroaromatic compoundhydroxypyridinemethylpyridine1-hydroxy-4-unsubstituted benzenoidmethoxybenzenepyridineorganic oxygen compoundanisoleisoquinolinephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
|---|
