| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:59:01 UTC |
|---|
| Update Date | 2025-03-25 00:53:19 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02198985 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C35H47N3O11 |
|---|
| Molecular Mass | 685.3211 |
|---|
| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2[nH]c(CCC(=O)O)c(C(=O)OCC(CC)CCC(=O)O)c2CCC(=O)O)c(CCC(=O)O)c1C |
|---|
| InChI Key | OFSRBJBKQPXLCK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | pentacarboxylic acids and derivatives |
|---|
| Direct Parent | pentacarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acid esterscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivativespyrrolinessecondary carboxylic acid amidesvinylogous amides |
|---|
| Substituents | vinylogous amidecarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundazacyclepyrrole-3-carboxylic acid or derivativesheteroaromatic compoundcarboxamide grouppentacarboxylic acid or derivativessecondary carboxylic acid amideorganic oxideorganic oxygen compoundpyrrolinecarboxylic acid esterpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
|---|
