| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:08:50 UTC |
|---|
| Update Date | 2025-03-25 00:56:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02221802 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H13NO4 |
|---|
| Molecular Mass | 235.0845 |
|---|
| SMILES | OCC(O)COc1ccnc2ccc(O)cc12 |
|---|
| InChI Key | QWVTVRZQGPKHAW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | quinolines and derivatives |
|---|
| Subclass | hydroxyquinolines |
|---|
| Direct Parent | hydroxyquinolines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids2-halopyridinesalkyl aryl ethersazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinesprimary alcoholssecondary alcohols |
|---|
| Substituents | etherpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheraromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineprimary alcohol1,2-diolalcoholazacycleheteroaromatic compoundhydroxypyridinehydroxyquinolinepyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
