| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:41:57 UTC |
|---|
| Update Date | 2025-03-21 17:59:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00019659 |
|---|
| Frequency | 207.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H14O7 |
|---|
| Molecular Mass | 222.074 |
|---|
| SMILES | CCOC(=O)C(O)C(O)C(O)C(=O)OC |
|---|
| InChI Key | NFYOBASXUHZQNE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | beta hydroxy acids and derivatives |
|---|
| Direct Parent | beta hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmethyl estersmonosaccharidesorganic oxidessecondary alcohols |
|---|
| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupmonosaccharidecarboxylic acid derivativefatty acid esterbeta-hydroxy acidsaccharideorganic oxidemethyl esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
|---|
