| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:57:23 UTC |
|---|
| Update Date | 2025-03-25 00:52:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02195198 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H11NO |
|---|
| Molecular Mass | 137.0841 |
|---|
| SMILES | CC1C=CC2CNC(=O)C12 |
|---|
| InChI Key | SHGQNBRZJVFNKS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrrolidines |
|---|
| Subclass | pyrrolidones |
|---|
| Direct Parent | pyrrolidine-2-ones |
|---|
| Geometric Descriptor | aliphatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
|---|
| Substituents | 2-pyrrolidonecarbonyl grouplactamazacyclecarboxamide groupcarboxylic acid derivativealiphatic heteropolycyclic compoundsecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
