| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:37:34 UTC |
|---|
| Update Date | 2025-03-25 00:45:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02150100 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H18O5 |
|---|
| Molecular Mass | 230.1154 |
|---|
| SMILES | CC(C)CCC(=O)OC1CCC(C(=O)O)O1 |
|---|
| InChI Key | VPGUIBHJBSNRSN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acid esters |
|---|
| Direct Parent | fatty acid esters |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetalscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
|---|
| Substituents | carbonyl groupcarboxylic acidtetrahydrofurancarboxylic acid derivativeoxacyclefatty acid esterorganic oxideorganic oxygen compoundacetalcarboxylic acid esteraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
|---|
