| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:13:08 UTC |
|---|
| Update Date | 2025-03-25 00:58:31 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02231285 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12O4 |
|---|
| Molecular Mass | 160.0736 |
|---|
| SMILES | CC1CC(O)C(CC(=O)O)O1 |
|---|
| InChI Key | BOKJJXFLUHXVIJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | monosaccharides |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
|---|
| Substituents | alcoholcarbonyl groupethercarboxylic acidtetrahydrofuranmonosaccharidecarboxylic acid derivativedialkyl etheroxacycleorganic oxidemonocarboxylic acid or derivativesaliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeorganoheterocyclic compound |
|---|
