Record Information |
---|
HMDB Status | Not Available |
---|
Creation Date | 2024-02-20 23:51:01 UTC |
---|
Update Date | 2025-03-21 18:02:54 UTC |
---|
HMDB ID | Not Available |
---|
Metabolite Identification |
---|
DeepMet ID | DMID00040964 |
---|
Frequency | 84.1 |
---|
Structure | |
---|
Chemical Formula | C7H6O7 |
---|
Molecular Mass | 202.0114 |
---|
SMILES | O=C(O)C=C(CC(=O)C(=O)O)C(=O)O |
---|
InChI Key | ODTDYYZJDQGKQT-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 | alpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesorganic oxides |
---|
Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidtricarboxylic acid or derivativesalpha-hydroxy ketonegamma-keto acidketoneorganic oxideorganic oxygen compoundketo acidalpha-keto acidhydrocarbon derivativeorganooxygen compound |
---|