| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:44:38 UTC |
|---|
| Update Date | 2025-03-21 18:00:12 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00025823 |
|---|
| Frequency | 149.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H17NO7 |
|---|
| Molecular Mass | 371.1005 |
|---|
| SMILES | O=C(O)C1OC(Oc2ccc3c(ccc4ccccc43)n2)C(O)C(O)C1O |
|---|
| InChI Key | PQKDKFIKEBHUKY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | quinolines and derivatives |
|---|
| Subclass | benzoquinolines |
|---|
| Direct Parent | benzoquinolines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesacetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesmonosaccharidesnaphthaleneso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinespyran carboxylic acidsquinolones and derivativessecondary alcohols |
|---|
| Substituents | carbonyl groupcarboxylic acidglucuronic acid or derivativespolyhalopyridineo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineoxanealcoholquinolonepyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinebenzoquinolinehydroxy acidoxacyclemonocarboxylic acid or derivativespyridinenaphthaleneorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
