| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:42:53 UTC |
|---|
| Update Date | 2025-03-25 00:47:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02162153 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H23N2O5+ |
|---|
| Molecular Mass | 359.1601 |
|---|
| SMILES | C=CC1=C(C)C(=CC2=[N+](C)C(CC(=O)O)C(CCC(=O)O)=C2C)NC1=O |
|---|
| InChI Key | NDVQBNZBVLGZPN-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | dicarboxylic acids and derivatives |
|---|
| Direct Parent | dicarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativeslactamsorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolinessecondary carboxylic acid amides |
|---|
| Substituents | carbonyl grouplactamcarboxylic acidazacyclecarboxamide groupsecondary carboxylic acid amideorganic oxideorganic oxygen compoundpyrrolinealiphatic heteromonocyclic compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganoheterocyclic compoundorganooxygen compound |
|---|
