| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:39 UTC |
|---|
| Update Date | 2025-03-25 00:50:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02179990 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C39H38N4O14 |
|---|
| Molecular Mass | 786.2385 |
|---|
| SMILES | Cc1c(CCC(=O)O)c2cc3nc(cc4[nH]c(cc1[nH]2)nc1cc(c(CCC(=O)O)c4CC(=O)O)C(CC(=O)O)=C1CCC(=O)O)C(CCC(=O)O)=C3CC(=O)O |
|---|
| InChI Key | XPRLOLDVRCNYSE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | heteroaromatic compounds |
|---|
| Subclass | heteroaromatic compounds |
|---|
| Direct Parent | heteroaromatic compounds |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
|---|
| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundcarboxylic acid derivativeorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
