| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 17:25:53 UTC |
|---|
| Update Date | 2025-03-25 01:51:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02539106 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C42H41N5O16 |
|---|
| Molecular Mass | 871.2548 |
|---|
| SMILES | O=C(O)CCC=C(CCC(=O)O)C1=Cc2[nH]c(c(CC(=O)O)c2CCC(=O)O)C=C2N=C3N=C(C=C2C(CCC(=O)O)=C(CC(=O)O)C2=CC(=N1)N2)C(CC(=O)O)=C3CCC(=O)O |
|---|
| InChI Key | IESYPLJINGEBAK-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 |
|---|
