| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:16:11 UTC |
|---|
| Update Date | 2025-03-25 00:59:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02238233 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C33H30N4O13 |
|---|
| Molecular Mass | 690.1809 |
|---|
| SMILES | O=C(O)CCC1=C(CC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CC(=O)O)c5CCC(=O)O)C(CC(=O)O)=C4CCC(=O)O)o3 |
|---|
| InChI Key | SDZBHLYOCOYYHK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | hexacarboxylic acids and derivatives |
|---|
| Direct Parent | hexacarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrroles |
|---|
| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundhexacarboxylic acid or derivativesorganoheterocyclic compoundorganooxygen compound |
|---|
