| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:57:03 UTC |
|---|
| Update Date | 2025-03-21 18:05:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00055169 |
|---|
| Frequency | 58.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H12N2O3 |
|---|
| Molecular Mass | 232.0848 |
|---|
| SMILES | NC(Cc1c[nH]c(=O)c2ccccc12)C(=O)O |
|---|
| InChI Key | LYTJBIRWQVTOCN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | isoquinolines and derivatives |
|---|
| Subclass | isoquinolones and derivatives |
|---|
| Direct Parent | isoquinolones and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridinones |
|---|
| Substituents | carbonyl grouplactamcarboxylic acidpolyhalopyridinealpha-amino acid or derivativescarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoquinoloneazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundpyridinoneorganooxygen compound |
|---|
