| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:16:05 UTC |
|---|
| Update Date | 2025-03-21 18:34:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00100692 |
|---|
| Frequency | 27.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12O3 |
|---|
| Molecular Mass | 144.0786 |
|---|
| SMILES | CCCC(=O)CC(=O)OC |
|---|
| InChI Key | SJPCQNABHNCLPB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | keto acids and derivatives |
|---|
| Subclass | beta-keto acids and derivatives |
|---|
| Direct Parent | beta-keto acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | fatty acid methyl estershydrocarbon derivativesketonesmethyl estersmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativebeta-keto acidketonefatty acid esterorganic oxidemonocarboxylic acid or derivativesfatty acid methyl estermethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
|---|
