| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:40:49 UTC |
|---|
| Update Date | 2025-03-25 00:46:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02157591 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C40H38N4O16 |
|---|
| Molecular Mass | 830.2283 |
|---|
| SMILES | O=C(O)CCc1c2nc3cc4[nH]c(c1CC(=O)O)C=c(nc(c(CCC(=O)O)c3CC(=O)O)C=c1[nH]c(c(CC(=O)O)c1CCC(=O)O)=C2)c(CCC(=O)O)c4CC(=O)O |
|---|
| InChI Key | JPLJAPXVPXHGCS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | azepines |
|---|
| Subclass | azepines |
|---|
| Direct Parent | azepines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
|---|
| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundcarboxylic acid derivativeorganic oxideorganic oxygen compoundazepinearomatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
