| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:55:20 UTC |
|---|
| Update Date | 2025-03-25 00:51:58 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02190631 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H14O2 |
|---|
| Molecular Mass | 142.0994 |
|---|
| SMILES | C=CC(C)(O)C(=O)CCC |
|---|
| InChI Key | PWDDIMZBMQWBOP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | acyloins |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha-hydroxy ketoneshydrocarbon derivativesorganic oxidestertiary alcohols |
|---|
| Substituents | ketonealcoholaliphatic acyclic compoundtertiary alcoholorganic oxideacyloinhydrocarbon derivativealpha-hydroxy ketone |
|---|
