| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:41:08 UTC |
|---|
| Update Date | 2025-03-21 17:58:58 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00017847 |
|---|
| Frequency | 234.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H16NO4+ |
|---|
| Molecular Mass | 322.1074 |
|---|
| SMILES | COc1c(O)ccc2cc3[n+](cc12)CCc1cc2c(cc1-3)OCO2 |
|---|
| InChI Key | OEGWOBMNQDATKP-UHFFFAOYSA-O |
|---|
| 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 | 1-hydroxy-2-unsubstituted benzenoids2-halopyridinesacetalsalkyl aryl ethersanisolesazacyclic compoundsbenzodioxolesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesisoquinolines and derivativesmethylpyridinesorganic cationsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesquinolizines |
|---|
| Substituents | tetrahydroprotoberberine skeletonphenol etheretherpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheracetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationorganoheterocyclic compoundbenzodioxolequinolizineazacycleheteroaromatic compoundhydroxypyridinemethylpyridineprotoberberine skeletonoxacyclepyridineorganic oxygen compoundanisoleisoquinolinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
