| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:48:27 UTC |
|---|
| Update Date | 2025-03-25 00:49:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02174913 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H16O4 |
|---|
| Molecular Mass | 212.1049 |
|---|
| SMILES | CCCC=CC=CC(=O)C(O)C(O)C=O |
|---|
| InChI Key | VOAANEJSXUOODD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty alcohols |
|---|
| Direct Parent | fatty alcohols |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | 1,2-diolsacryloyl compoundsacyloinsalpha-hydroxy ketonesalpha-hydroxyaldehydesbeta-hydroxy aldehydesbeta-hydroxy ketonesenoneshydrocarbon derivativesmedium-chain aldehydesmonosaccharidesorganic oxidessecondary alcoholsb'-hydroxy-alpha,beta-unsaturated ketones |
|---|
| Substituents | beta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupbeta-hydroxy aldehydeb'-hydroxy-alpha,beta-unsaturated-ketonemonosaccharidealpha,beta-unsaturated ketonealpha-hydroxy ketoneketonesaccharideorganic oxidealpha-hydroxyaldehydefatty alcohol1,2-diolenonealcoholaldehydemedium-chain aldehydeorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeacryloyl-grouporganooxygen compound |
|---|
