| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:25:03 UTC |
|---|
| Update Date | 2025-03-21 18:38:45 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00122503 |
|---|
| Frequency | 21.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H9NO2 |
|---|
| Molecular Mass | 187.0633 |
|---|
| SMILES | COc1ccc2nccc(C=O)c2c1 |
|---|
| InChI Key | PDGKZDPIWAKVLH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | quinolines and derivatives |
|---|
| Subclass | quinolines and derivatives |
|---|
| Direct Parent | quinolines and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesalkyl aryl ethersanisolesaryl-aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridine carboxaldehydespyridinecarboxylic acids and derivatives |
|---|
| Substituents | pyridine carboxylic acid or derivativesphenol etheretherpolyhalopyridinealkyl aryl etherorganic oxidearyl-aldehydearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineazacycleheteroaromatic compoundaldehydemethylpyridine4-pyridine carboxaldehydepyridineorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
