| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:47:24 UTC |
|---|
| Update Date | 2025-03-25 00:49:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02172499 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C35H48N4O8 |
|---|
| Molecular Mass | 652.3472 |
|---|
| SMILES | CCC1=C(C)C(Cc2[nH]c(Cc3[nH]c(CC4NC(=O)C(C)CC4CCC(=O)O)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O |
|---|
| InChI Key | KPPLQKJOAOENCD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | tricarboxylic acids and derivatives |
|---|
| Direct Parent | tricarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdelta lactamsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspiperidinonespyrrolespyrrolinessecondary carboxylic acid amides |
|---|
| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundtricarboxylic acid or derivativescarboxamide groupdelta-lactamsecondary carboxylic acid amideorganic oxideorganic oxygen compoundpyrrolinepyrroleorganonitrogen compoundorganopnictogen compoundpiperidinonehydrocarbon derivativeorganic nitrogen compoundpiperidineorganoheterocyclic compoundorganooxygen compound |
|---|
