| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 03:57:46 UTC |
|---|
| Update Date | 2025-03-21 23:01:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00622089 |
|---|
| Frequency | 2.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12O2 |
|---|
| Molecular Mass | 140.0837 |
|---|
| SMILES | C=CC1(O)C=CCC(O)C1 |
|---|
| InChI Key | YXQRMNGBCDWXIM-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 |
|---|
