| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:57:55 UTC |
|---|
| Update Date | 2025-03-25 00:52:51 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02196424 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C37H45N3O8 |
|---|
| Molecular Mass | 659.3207 |
|---|
| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2[nH]c(CC3C(=O)OCC3Cc3cccc(O)c3)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C |
|---|
| InChI Key | SDCHXBQNFZTWJJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | tricarboxylic acids and derivatives |
|---|
| Direct Parent | tricarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsgamma butyrolactonesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrrolespyrrolinessecondary carboxylic acid amidestetrahydrofurans |
|---|
| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativeslactoneorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycletetrahydrofuranheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidcarboxamide groupgamma butyrolactoneoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyrrolinecarboxylic acid esterpyrrolephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
