| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 01:13:07 UTC |
|---|
| Update Date | 2025-03-21 19:07:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00234521 |
|---|
| Frequency | 9.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H12O2 |
|---|
| Molecular Mass | 116.0837 |
|---|
| SMILES | CC(O)=CCC(C)O |
|---|
| InChI Key | AFALXOCQEVQFBH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | secondary alcohols |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivatives |
|---|
| Substituents | aliphatic acyclic compoundsecondary alcoholhydrocarbon derivative |
|---|
