| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 05:24:51 UTC |
|---|
| Update Date | 2025-03-24 14:18:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00830525 |
|---|
| Frequency | 1.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C47H45N3O20 |
|---|
| Molecular Mass | 971.2596 |
|---|
| SMILES | O=C(O)CCC1=C(CC(=O)O)C2=NC1=Cc1c(CCC(=O)O)c(c(CC(=O)O)c(CCC(=O)O)c1CC(=O)O)C=C1N=C(C=c3[nH]c(c(CCC(=O)O)c3CC(=O)O)=C2)C(CCC(=O)O)=C1CC(=O)O |
|---|
| InChI Key | ZCIFVJQCVMVDTB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | Not Available |
|---|
| Subclass | benzenoids |
|---|
| Direct Parent | benzenoids |
|---|
| 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 compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
|---|
