| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:18:33 UTC |
|---|
| Update Date | 2025-03-21 18:35:41 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00106808 |
|---|
| Frequency | 25.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C35H36N4O6 |
|---|
| Molecular Mass | 608.2635 |
|---|
| SMILES | C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1c(CCC(=O)O)c2C)N5)c(C)c4CCC(=O)O)C(CCC(=O)O)=C3C |
|---|
| InChI Key | ILPDNXOWKGHIPX-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 heteropolycyclic compounds |
|---|
| Alternative Parents | amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundspyrrolessecondary amines |
|---|
| Substituents | carbonyl groupcarboxylic acidazacycleamino acid or derivativesamino acidheteroaromatic compoundtricarboxylic acid or derivativessecondary amineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundimidolactamorganoheterocyclic compoundorganooxygen compoundamine |
|---|
