| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:11:18 UTC |
|---|
| Update Date | 2025-03-21 18:32:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00089106 |
|---|
| Frequency | 31.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H16O2 |
|---|
| Molecular Mass | 144.115 |
|---|
| SMILES | CCC(C)(O)CCC(C)=O |
|---|
| InChI Key | HVMOHUJXRYIQSZ-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 acyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesketonesorganic oxides |
|---|
| Substituents | ketonealiphatic acyclic compoundcarbonyl grouptertiary alcoholorganic oxidehydrocarbon derivative |
|---|
