| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:51:15 UTC |
|---|
| Update Date | 2025-03-21 18:02:58 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00041496 |
|---|
| Frequency | 82.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12O4 |
|---|
| Molecular Mass | 160.0736 |
|---|
| SMILES | O=C(O)CC1CCC(O)CO1 |
|---|
| InChI Key | CITFIHBAPFPYFK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | oxanes |
|---|
| Subclass | oxanes |
|---|
| Direct Parent | oxanes |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcohols |
|---|
| Substituents | alcoholcarbonyl groupethercarboxylic acidcarboxylic acid derivativedialkyl etheroxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeoxaneorganooxygen compound |
|---|
