| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 16:01:53 UTC |
|---|
| Update Date | 2025-03-25 01:16:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02343759 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C45H45N3O17 |
|---|
| Molecular Mass | 899.2749 |
|---|
| SMILES | CC1=C(CCC(=O)O)C2=C(CC(=O)O)C(CCC(=O)O)=C3C=C4N=C(C=c5[nH]c(c(CC(=O)O)c5CCC(=O)O)=CC(=C(CCC(=O)O)C(=C2)N3)CC1=O)C(CC(=O)O)=C4CCC(=O)O |
|---|
| InChI Key | TUDVQAIFGMNXBT-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | azepines |
|---|
| Subclass | azepines |
|---|
| Direct Parent | azepines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | amino acidsazacyclic compoundscarboxylic acidscyclic ketonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundspyrrolessecondary amines |
|---|
| Substituents | carbonyl groupcarboxylic acidazacycleamino acid or derivativesamino acidheteroaromatic compoundcyclic ketonesecondary aminecarboxylic acid derivativeketoneorganic oxideorganic oxygen compoundazepinearomatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
|---|
