| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:43:46 UTC |
|---|
| Update Date | 2025-03-21 17:59:51 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00023728 |
|---|
| Frequency | 165.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H12O3 |
|---|
| Molecular Mass | 204.0786 |
|---|
| SMILES | O=CC(=Cc1ccccc1)CCC(=O)O |
|---|
| InChI Key | LDNXNRJBQVXWJG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | cinnamaldehydes |
|---|
| Subclass | cinnamaldehydes |
|---|
| Direct Parent | cinnamaldehydes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aldehydesbenzene and substituted derivativesbranched fatty acidscarbocyclic fatty acidscarboxylic acidsfatty acylshydrocarbon derivativesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycinnamaldehydecarbonyl groupcarboxylic acidaldehydecarboxylic acid derivativebranched fatty acidaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidbenzenoidorganooxygen compound |
|---|
