Record Information |
---|
HMDB Status | Not Available |
---|
Creation Date | 2024-02-20 23:47:29 UTC |
---|
Update Date | 2025-03-21 18:01:22 UTC |
---|
HMDB ID | Not Available |
---|
Metabolite Identification |
---|
DeepMet ID | DMID00032493 |
---|
Frequency | 112.3 |
---|
Structure | |
---|
Chemical Formula | C9H12O6 |
---|
Molecular Mass | 216.0634 |
---|
SMILES | O=C(O)CCCC=C(CC(=O)O)C(=O)O |
---|
InChI Key | HZCDXJOPMCUIDB-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 acidshydrocarbon derivativesorganic oxides |
---|
Substituents | aliphatic acyclic compoundcarbonyl grouporganic oxidecarboxylic acidorganic oxygen compoundhydrocarbon derivativetricarboxylic acid or derivativesorganooxygen compound |
---|