| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:22:50 UTC |
|---|
| Update Date | 2025-03-21 18:37:47 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00117247 |
|---|
| Frequency | 22.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H14N2O3 |
|---|
| Molecular Mass | 222.1004 |
|---|
| SMILES | CN1C(C(=O)O)CCC1c1ccc[n+]([O-])c1 |
|---|
| InChI Key | OCFVNBGNKGLNFJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | proline and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alkaloids and derivativesalpha amino acidsamino acidsaralkylaminesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundspyrrolidine carboxylic acidspyrrolidinylpyridinestrialkylamines |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidpyrrolidinylpyridinearalkylamineorganic oxidepyrrolidine carboxylic acidalpha-amino acidorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundproline or derivativesazacyclen-alkylpyrrolidineheteroaromatic compoundtertiary aliphatic aminehydroxypyridinemethylpyridinemonocarboxylic acid or derivativesalkaloid or derivativespyridinepyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
|---|
