| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:01:03 UTC |
|---|
| Update Date | 2025-03-25 00:54:02 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02203653 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C43H40N4O18 |
|---|
| Molecular Mass | 900.2338 |
|---|
| SMILES | O=C(O)CCC1=C2C=C3N=C(N=C2C=c2[nH]c(c(CCC(=O)O)c2CCC(=O)O)=CC2=NC(=CC(C(=O)O)=C1CC(=O)O)C(CCC(=O)O)=C2CC(=O)O)C(CC(=O)O)=C3CCC(=O)O |
|---|
| InChI Key | XRFMSWHQQFEQSC-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 |
|---|
