| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 13:30:36 UTC |
|---|
| Update Date | 2025-03-24 22:06:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01992009 |
|---|
| Frequency | 0.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C49H49N3O21 |
|---|
| Molecular Mass | 1015.2859 |
|---|
| SMILES | O=C(O)CCC1=C(CC(=O)O)c2cc3[nH]c(cc4nc(cc5c(CCC(O)C(=O)O)c(CCC(=O)O)c(cc1n2)c(CC(=O)O)c5CCC(=O)O)C(CC(=O)O)=C4CCC(=O)O)c(CC(=O)O)c3CCC(=O)O |
|---|
| InChI Key | DKGDANQLKAZPBC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | Not Available |
|---|
| Subclass | benzenoids |
|---|
| Direct Parent | benzenoids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcohols |
|---|
| Substituents | alcoholcarbonyl groupcarboxylic acidazacyclealpha-hydroxy acidheteroaromatic compoundmonosaccharidehydroxy acidcarboxylic acid derivativesaccharideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
|---|
