| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:42:58 UTC |
|---|
| Update Date | 2025-03-25 00:47:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02162360 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12O4 |
|---|
| Molecular Mass | 184.0736 |
|---|
| SMILES | O=C(O)CCC(=O)C1C=C(O)CC1 |
|---|
| InChI Key | VBKFMWCRRRFIBJ-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 derivativeshydroxy fatty acidsketonesmonocarboxylic 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 derivativehydroxy fatty acidorganooxygen compound |
|---|
