| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:06:21 UTC |
|---|
| Update Date | 2025-03-21 18:29:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00077420 |
|---|
| Frequency | 37.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H10O7 |
|---|
| Molecular Mass | 218.0427 |
|---|
| SMILES | O=C(O)C=C(CC(O)CC(=O)O)C(=O)O |
|---|
| InChI Key | ILBSZMGZKFLKKL-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 | beta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesorganic oxidessecondary alcohols |
|---|
| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidtricarboxylic acid or derivativeshydroxy acidbeta-hydroxy acidorganic oxideorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
|---|
