| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:45:32 UTC |
|---|
| Update Date | 2025-03-21 18:00:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00027908 |
|---|
| Frequency | 135.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H10O4 |
|---|
| Molecular Mass | 146.0579 |
|---|
| SMILES | OCC1(O)C=CC(O)C1O |
|---|
| InChI Key | TZBDSWBAHNJEJQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | tertiary alcohols |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativessecondary alcohols |
|---|
| Substituents | tertiary alcoholsecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative |
|---|
