| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:20:19 UTC |
|---|
| Update Date | 2025-03-25 01:01:13 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02247866 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H25NO7 |
|---|
| Molecular Mass | 355.1631 |
|---|
| SMILES | CCC(CCC(C)O)COC(=O)c1c(CCC(=O)O)c[nH]c1C(=O)O |
|---|
| InChI Key | XUPUAPCPCBBAQX-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 | azacyclic compoundscarbonyl compoundscarboxylic acid esterscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole 2-carboxylic acidspyrrole carboxylic acids and derivativessecondary alcoholsvinylogous amides |
|---|
| Substituents | alcoholvinylogous amidecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacyclepyrrole-3-carboxylic acid or derivativesheteroaromatic compoundtricarboxylic acid or derivativesorganic oxidepyrrole-2-carboxylic acidorganic oxygen compoundpyrrole-2-carboxylic acid or derivativespyrrolecarboxylic acid esterorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
|---|
