| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:56:19 UTC |
|---|
| Update Date | 2025-03-21 18:04:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00053478 |
|---|
| Frequency | 60.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H16O2 |
|---|
| Molecular Mass | 156.115 |
|---|
| SMILES | CC(=O)OCC1CCCCC1 |
|---|
| InChI Key | FXKHUBNHBYCRNH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | carboxylic acid derivatives |
|---|
| Direct Parent | carboxylic acid esters |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | carbonyl grouporganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compound |
|---|
