| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:00:37 UTC |
|---|
| Update Date | 2025-03-25 00:53:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02202643 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H11NO4 |
|---|
| Molecular Mass | 281.0688 |
|---|
| SMILES | O=C(O)c1cn(-c2ccc(O)cc2)c(=O)c2ccccc12 |
|---|
| InChI Key | SMYIZVMQRINQHJ-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 | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine-3-carboxylic acidspyridinonesvinylogous amides |
|---|
| Substituents | pyridine carboxylic acid or derivativesmonocyclic benzene moietylactamcarboxylic acidpyridine-3-carboxylic acidpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundisoquinolone1-carboxy-2-haloaromatic compoundvinylogous amideazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundpyridine carboxylic acidphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundpyridinoneorganooxygen compound |
|---|
