| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:30:05 UTC |
|---|
| Update Date | 2025-03-21 18:41:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00134257 |
|---|
| Frequency | 18.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12O5 |
|---|
| Molecular Mass | 176.0685 |
|---|
| SMILES | CCOC(CCC(=O)O)C(=O)O |
|---|
| InChI Key | XGJBQTOLANVTEK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | short-chain hydroxy acids and derivatives |
|---|
| Direct Parent | short-chain hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidsdialkyl ethersdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesorganic oxides |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupethercarboxylic acidshort-chain hydroxy acidfatty acidcarboxylic acid derivativedialkyl etherorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
|---|
