| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 13:14:04 UTC |
|---|
| Update Date | 2025-03-24 21:58:51 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01952585 |
|---|
| Frequency | 0.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H6O4 |
|---|
| Molecular Mass | 142.0266 |
|---|
| SMILES | C=CC(=O)C=C(O)C(=O)O |
|---|
| InChI Key | HKDDIYUWIMSSDN-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 | acryloyl compoundscarboxylic acidsenoneshydrocarbon derivativeshydroxy fatty acidsketonesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesunsaturated fatty acidsvinylogous acids |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidalpha,beta-unsaturated ketonecarboxylic acid derivativemedium-chain hydroxy acidketoneunsaturated fatty acidvinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidacryloyl-grouporganooxygen compoundenone |
|---|
