| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:47:44 UTC |
|---|
| Update Date | 2025-03-25 00:49:18 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02173295 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H10O4 |
|---|
| Molecular Mass | 158.0579 |
|---|
| SMILES | CCC(O)=C(O)C=CC(=O)O |
|---|
| InChI Key | VDFBPYWIUREKFW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | medium-chain hydroxy acids and derivatives |
|---|
| Direct Parent | medium-chain hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesunsaturated fatty acids |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidcarboxylic acid derivativemedium-chain hydroxy acidunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidorganooxygen compound |
|---|
