| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:49:25 UTC |
|---|
| Update Date | 2025-03-21 18:02:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00037192 |
|---|
| Frequency | 94.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H18N2O5 |
|---|
| Molecular Mass | 330.1216 |
|---|
| SMILES | C=CC1=C(C)C(=O)NC1=Cc1[nH]c(C(=O)O)c(CCC(=O)O)c1C |
|---|
| InChI Key | FNWATEIHTLNFIA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrroles |
|---|
| Subclass | pyrrole carboxylic acids and derivatives |
|---|
| Direct Parent | pyrrole 2-carboxylic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivativespyrrolinessecondary carboxylic acid amides |
|---|
| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxidepyrrole-2-carboxylic acidorganic oxygen compoundpyrrolineorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
