| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:13:17 UTC |
|---|
| Update Date | 2025-03-21 18:33:02 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00093900 |
|---|
| Frequency | 29.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10N2O2 |
|---|
| Molecular Mass | 178.0742 |
|---|
| SMILES | O=C1CCC(c2cc[n+]([O-])cc2)N1 |
|---|
| InChI Key | XCPFIUUIGWZGMM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | pyridines and derivatives |
|---|
| Direct Parent | pyridines and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine-2-onessecondary carboxylic acid amides |
|---|
| Substituents | 2-pyrrolidonecarbonyl grouplactamaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxidepyridineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidinepyrrolidoneorganooxygen compound |
|---|
