| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 12:37:15 UTC |
|---|
| Update Date | 2025-03-24 21:42:47 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01865897 |
|---|
| Frequency | 0.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C45H45N3O16 |
|---|
| Molecular Mass | 883.28 |
|---|
| SMILES | CC1=C(CCC(=O)O)c2cc3c(CCC(=O)O)c(CC(=O)O)c(cc4nc(cc5c(CCC(=O)O)c(C)c(cc1n2)c(CC(=O)O)c5CCC(=O)O)N4)c(CCC(=O)O)c3CC(=O)O |
|---|
| InChI Key | VOMPRQIGZNKNSY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | Not Available |
|---|
| Subclass | benzenoids |
|---|
| Direct Parent | benzenoids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundssecondary amines |
|---|
| Substituents | carbonyl groupcarboxylic acidazacycleamino acid or derivativesamino acidheteroaromatic compoundsecondary aminecarboxylic acid derivativeorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundimidolactamorganoheterocyclic compoundorganooxygen compoundamine |
|---|
