| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:21:43 UTC |
|---|
| Update Date | 2025-03-25 01:01:41 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02251036 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H22O7 |
|---|
| Molecular Mass | 290.1366 |
|---|
| SMILES | O=C(O)CCCCCCCC(=O)OC(O)CCC(=O)O |
|---|
| InChI Key | OAQBJLVNMPRFEE-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 | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estershemiacetalshydrocarbon derivativesorganic oxides |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidtricarboxylic acid or derivativesfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterhemiacetalhydrocarbon derivativeorganooxygen compound |
|---|
