| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 01:09:28 UTC |
|---|
| Update Date | 2025-03-21 19:05:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00226158 |
|---|
| Frequency | 9.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H9NO2 |
|---|
| Molecular Mass | 127.0633 |
|---|
| SMILES | CN1C=CC(C(=O)O)C1 |
|---|
| InChI Key | LSVQCBWWEWAUKK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrrolines |
|---|
| Subclass | pyrroline carboxylic acids and derivatives |
|---|
| Direct Parent | pyrroline carboxylic acids |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsenamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundstrialkylamines |
|---|
| Substituents | carbonyl groupcarboxylic acidazacycleamino acid or derivativesamino acidtertiary aliphatic aminecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpyrroline carboxylic acidaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundaminetertiary amineorganooxygen compoundenamine |
|---|
