| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 01:45:57 UTC |
|---|
| Update Date | 2025-03-21 20:02:41 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00310143 |
|---|
| Frequency | 6.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H10O3 |
|---|
| Molecular Mass | 142.063 |
|---|
| SMILES | C=CC(CC(C)=O)C(=O)O |
|---|
| InChI Key | DQVYKRVVJCNILH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | keto acids and derivatives |
|---|
| Subclass | gamma-keto acids and derivatives |
|---|
| Direct Parent | gamma-keto acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | branched fatty acidscarboxylic acidsfatty acylshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesshort-chain keto acids and derivatives |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain keto acidcarboxylic acid derivativebranched fatty acidgamma-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
|---|
