| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:45:31 UTC |
|---|
| Update Date | 2025-03-25 00:48:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02168199 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H10O5 |
|---|
| Molecular Mass | 186.0528 |
|---|
| SMILES | CC(CC(=O)C=CC(=O)O)C(=O)O |
|---|
| InChI Key | OUPHQKWHFZKSQV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | keto acids and derivatives |
|---|
| Subclass | medium-chain keto acids and derivatives |
|---|
| Direct Parent | medium-chain keto acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acryloyl compoundscarboxylic acidsdicarboxylic acids and derivativesenonesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesketonesmethyl-branched fatty acidsorganic oxidesunsaturated fatty acids |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidalpha,beta-unsaturated ketonecarboxylic acid derivativebranched fatty acidgamma-keto acidketoneunsaturated fatty acidorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeacryloyl-grouporganooxygen compoundenonemedium-chain keto acid |
|---|
