| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:51:20 UTC |
|---|
| Update Date | 2025-03-25 00:50:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02181547 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H18O7 |
|---|
| Molecular Mass | 262.1053 |
|---|
| SMILES | O=C(O)CCCC=CC(=O)C(O)C(O)C(O)CO |
|---|
| InChI Key | RQCODPVRXZVUOI-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 compoundsacyloinsalpha-hydroxy ketonesbeta-hydroxy ketonescarboxylic acidsenonesfatty alcoholshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesprimary alcoholssecondary alcoholsb'-hydroxy-alpha,beta-unsaturated ketones |
|---|
| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidb'-hydroxy-alpha,beta-unsaturated-ketonemonosaccharidealpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativemedium-chain hydroxy acidketonesaccharideorganic oxidefatty alcoholmedium-chain fatty acidhydroxy fatty acidprimary alcoholenonealcoholmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeacryloyl-grouporganooxygen compound |
|---|
