| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:29:03 UTC |
|---|
| Update Date | 2025-03-21 18:40:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00131944 |
|---|
| Frequency | 19.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H22N2O5 |
|---|
| Molecular Mass | 334.1529 |
|---|
| SMILES | CCC1=C(C)C(Cc2[nH]c(C(=O)O)c(CCC(=O)O)c2C)NC1=O |
|---|
| InChI Key | BJUGPFUYCFOFJS-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 |
|---|
