| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:36:17 UTC |
|---|
| Update Date | 2025-03-21 17:57:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00006800 |
|---|
| Frequency | 754.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H17NO7 |
|---|
| Molecular Mass | 323.1005 |
|---|
| SMILES | OCC1OC(Oc2ccc3cccc(O)c3n2)C(O)C(O)C1O |
|---|
| InChI Key | CPPLDBIHFZBVGH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | quinolines and derivatives |
|---|
| Subclass | quinolones and derivatives |
|---|
| Direct Parent | quinolones and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-halopyridines8-hydroxyquinolinesacetalsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonosaccharidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinesprimary alcoholssecondary alcohols |
|---|
| Substituents | polyhalopyridine1-hydroxy-2-unsubstituted benzenoidmonosaccharidesaccharideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineoxaneprimary alcoholalcoholquinolone8-hydroxyquinolineazacycleheteroaromatic compoundhydroxypyridine1-hydroxy-4-unsubstituted benzenoidoxacyclepyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
