| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:47:31 UTC |
|---|
| Update Date | 2025-03-25 00:49:13 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02172780 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H18O2 |
|---|
| Molecular Mass | 206.1307 |
|---|
| SMILES | CCCC(CC(=O)O)c1cccc(C)c1 |
|---|
| InChI Key | ZIUUNCABCSWFLU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | phenylpropanoic acids |
|---|
| Subclass | phenylpropanoic acids |
|---|
| Direct Parent | phenylpropanoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | carbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidestoluenes |
|---|
| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidfatty acidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidbenzenoidtolueneorganooxygen compound |
|---|
