| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:20:53 UTC |
|---|
| Update Date | 2025-03-21 18:36:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00112490 |
|---|
| Frequency | 23.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C25H29N3O6 |
|---|
| Molecular Mass | 467.2056 |
|---|
| SMILES | Cc1c2[nH]c(c1CCC(=O)O)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(C)c1C(=O)O)C2 |
|---|
| InChI Key | BCOGPJMZWKDKQY-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 heteropolycyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compoundsazacyclic compoundscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxylic acidsvinylogous amides |
|---|
| Substituents | vinylogous amidecarbonyl groupcarboxylic acidazacyclepyrrole-3-carboxylic acid or derivativesheteroaromatic compoundtricarboxylic acid or derivativesorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative1-carboxy-2-haloaromatic compoundorganic nitrogen compoundpyrrole-3-carboxylic acidorganoheterocyclic compoundorganooxygen compound |
|---|
