| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:07:22 UTC |
|---|
| Update Date | 2025-03-21 18:29:51 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00079893 |
|---|
| Frequency | 36.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H18O3 |
|---|
| Molecular Mass | 222.1256 |
|---|
| SMILES | CC1=C(C(=O)CCC(=O)O)C(C)(C)CC=C1 |
|---|
| InChI Key | FYNQARVAASOABC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acids and conjugates |
|---|
| Direct Parent | carbocyclic fatty acids |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | carboxylic acidsfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesshort-chain keto acids and derivatives |
|---|
| Substituents | carbocyclic fatty acidcarbonyl groupcarboxylic acidshort-chain keto acidcarboxylic acid derivativegamma-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidaliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compound |
|---|
