| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:55:52 UTC |
|---|
| Update Date | 2025-03-21 18:04:43 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00052491 |
|---|
| Frequency | 62.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H12O3 |
|---|
| Molecular Mass | 192.0786 |
|---|
| SMILES | O=C(O)C=C(O)CCc1ccccc1 |
|---|
| InChI Key | ORTYHBHJWXWSEE-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 | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesunsaturated fatty acidsvinylogous acids |
|---|
| Substituents | carbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidcarboxylic acid derivativemedium-chain hydroxy acidaromatic homomonocyclic compoundunsaturated fatty acidvinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidbenzenoidorganooxygen compound |
|---|
