| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 07:42:06 UTC |
|---|
| Update Date | 2025-03-24 22:19:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01159173 |
|---|
| Frequency | 1.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H5NO2 |
|---|
| Molecular Mass | 123.032 |
|---|
| SMILES | CC1=CC(=O)NC1=C=O |
|---|
| InChI Key | YJOCMRHZMLPGCN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrrolines |
|---|
| Subclass | pyrrolines |
|---|
| Direct Parent | pyrrolines |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesynolates |
|---|
| Substituents | carbonyl grouplactamazacyclecarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxideorganic oxygen compoundpyrrolineynolatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
