| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:38:12 UTC |
|---|
| Update Date | 2025-03-25 00:45:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02151598 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C41H43N3O8 |
|---|
| Molecular Mass | 705.305 |
|---|
| SMILES | C=Cc1c(C)c2c(C)c(CCC(=O)O)c3nc4cc1c(C)c(CCC(=O)O)c(nc(c(CCC(=O)O)c4C)C=c1[nH]c(c(C)c1CCC(=O)O)=C3)=C2 |
|---|
| InChI Key | DFWVLCIWBHHTMR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | tetracarboxylic acids and derivatives |
|---|
| Direct Parent | tetracarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
|---|
| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundtetracarboxylic acid or derivativesorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
|---|
