| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:42:04 UTC |
|---|
| Update Date | 2025-03-25 00:47:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02160337 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H12N2O4 |
|---|
| Molecular Mass | 248.0797 |
|---|
| SMILES | Nc1c(C(O)CC(=O)O)cnc2c(O)cccc12 |
|---|
| InChI Key | WMJFBFGXQVZUHL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | quinolines and derivatives |
|---|
| Subclass | 8-hydroxyquinolines |
|---|
| Direct Parent | 8-hydroxyquinolines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-halopyridinesamino acidsaromatic alcoholsazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspolyhalopyridinesprimary aminessecondary alcohols |
|---|
| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidamino acid or derivativesamino acidpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinealcohol8-hydroxyquinolineazacycleheteroaromatic compoundhydroxypyridinehydroxy acid1-hydroxy-4-unsubstituted benzenoidmonocarboxylic acid or derivativespyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
