| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:03:32 UTC |
|---|
| Update Date | 2025-03-25 00:54:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02209385 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C38H38N4O12 |
|---|
| Molecular Mass | 742.2486 |
|---|
| SMILES | CC1=C(CCC(=O)O)c2cc3c(CCC(=O)O)c(CC(=O)O)c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)O)c5C)N4)c(CCC(=O)O)c3CC(=O)O |
|---|
| InChI Key | SBDUUZGNUQAUST-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 | amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundspyrrolessecondary amines |
|---|
| Substituents | carbonyl groupcarboxylic acidazacycleamino acid or derivativesamino acidheteroaromatic compoundsecondary amineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhexacarboxylic acid or derivativesimidolactamorganoheterocyclic compoundorganooxygen compoundamine |
|---|
