| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 03:48:14 UTC |
|---|
| Update Date | 2025-03-21 22:57:13 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00600125 |
|---|
| Frequency | 2.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H14O2 |
|---|
| Molecular Mass | 130.0994 |
|---|
| SMILES | CCC(C)(O)CCC=O |
|---|
| InChI Key | PUMVOOYIPAYIQQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | medium-chain aldehydes |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha-hydrogen aldehydeshydrocarbon derivativesorganic oxidestertiary alcohols |
|---|
| Substituents | alcoholaliphatic acyclic compoundtertiary alcoholorganic oxidealpha-hydrogen aldehydehydrocarbon derivativemedium-chain aldehyde |
|---|
