| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:21:52 UTC |
|---|
| Update Date | 2025-03-25 01:01:45 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02251394 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H14NO4+ |
|---|
| Molecular Mass | 320.0917 |
|---|
| SMILES | c1c2c(cc3c1OCO3)-c1cc3c4c(ccc3c[n+]1CC2)OCO4 |
|---|
| InChI Key | PCUHPYDNAOSZRX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | alkaloids and derivatives |
|---|
| Class | protoberberine alkaloids and derivatives |
|---|
| Subclass | protoberberine alkaloids and derivatives |
|---|
| Direct Parent | protoberberine alkaloids and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesacetalsazacyclic compoundsbenzenoidsbenzodioxolesheteroaromatic compoundshydrocarbon derivativesisoquinolines and derivativesorganic cationsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinespyridines and derivativesquinolizines |
|---|
| Substituents | tetrahydroprotoberberine skeletonazacyclepolyhalopyridineheteroaromatic compoundprotoberberine skeletonoxacyclepyridineorganic oxygen compoundacetalaromatic heteropolycyclic compoundorganonitrogen compoundisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganic cationorganoheterocyclic compoundorganooxygen compoundbenzodioxolequinolizine |
|---|
