| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 01:58:02 UTC |
|---|
| Update Date | 2025-03-21 20:09:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00338334 |
|---|
| Frequency | 5.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C42H38N4O18 |
|---|
| Molecular Mass | 886.2181 |
|---|
| SMILES | O=C(O)CCC1=C(C(=O)O)C=C2N=C(C=c3[nH]c(c(CCC(=O)O)c3CC(=O)O)=CC3=NC4=NC(=CC3=C1CC(=O)O)C(CCC(=O)O)=C4CC(=O)O)C(CC(=O)O)=C2CCC(=O)O |
|---|
| InChI Key | CTXHFSTYPAGCNX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | carboxylic acids |
|---|
| Direct Parent | 1-carboxy-2-haloaromatic compounds |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
|---|
| Substituents | carbonyl groupazacycleheteroaromatic compoundorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative1-carboxy-2-haloaromatic compoundorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
|---|
