| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:19:51 UTC |
|---|
| Update Date | 2025-03-25 01:01:04 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02246799 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C33H42N2O9 |
|---|
| Molecular Mass | 610.289 |
|---|
| SMILES | CCC1=C(C)C(Cc2[nH]c(Cc3cc(CCC(=O)O)c(C)c(CCC(=O)O)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O |
|---|
| InChI Key | UWTUVQPZWDJCCS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | tetracarboxylic acids and derivatives |
|---|
| Direct Parent | tetracarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidspyrrolespyrrolinessecondary carboxylic acid amidestoluenes |
|---|
| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundtetracarboxylic acid or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compound |
|---|
