| 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 | DMID02251037 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C21H30O9 |
|---|
| Molecular Mass | 426.189 |
|---|
| SMILES | O=C(O)CCCCCCCC(=O)OCOC(=O)CCC(O)Cc1ccc(O)c(O)c1 |
|---|
| InChI Key | MFDVTSOTAOOJEO-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 homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsacylalsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsfatty acid estershydrocarbon derivativesorganic oxidessecondary alcohols |
|---|
| Substituents | alcoholfatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivatives1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundacylalfatty acid esterorganic oxideorganic oxygen compoundacetalcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
