| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:40:15 UTC |
|---|
| Update Date | 2025-03-25 00:46:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02156362 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H18NO4+ |
|---|
| Molecular Mass | 252.123 |
|---|
| SMILES | C[N+]1(C)CC(O)C(C(=O)O)C1c1ccc(O)cc1 |
|---|
| InChI Key | WIGJJWAPWJYHFZ-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrrolidines |
|---|
| Subclass | phenylpyrrolidines |
|---|
| Direct Parent | phenylpyrrolidines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-aminoalcohols1-hydroxy-2-unsubstituted benzenoidsaralkylaminesazacyclic compoundsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundspyrrolespyrrolidine carboxylic acidssecondary alcoholstetraalkylammonium salts |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativearalkylaminebeta-hydroxy acidorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltalcoholtetraalkylammonium saltazacyclen-alkylpyrrolidine1,2-aminoalcohol2-phenylpyrrolidinequaternary ammonium salthydroxy acidmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
|---|
