| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:39 UTC |
|---|
| Update Date | 2025-03-25 00:50:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02179965 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C34H35N3O12 |
|---|
| Molecular Mass | 677.2221 |
|---|
| SMILES | Cc1c(CCC(=O)O)c2c(CCC(=O)O)c(CC(=O)O)c1=CC(CCC(=O)O)=Cc1[nH]c(c(CCC(=O)O)c1CC(=O)O)C=C1N=C(C=2)N1 |
|---|
| InChI Key | YFPKIDJUXKRJDJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | hexacarboxylic acids and derivatives |
|---|
| Direct Parent | hexacarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | amidinesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroles |
|---|
| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundorganic 1,3-dipolar compoundamidinepropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhexacarboxylic acid or derivativesimidolactamorganoheterocyclic compoundorganooxygen compound |
|---|
