| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:54:47 UTC |
|---|
| Update Date | 2025-03-25 00:51:48 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02189444 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H16O4 |
|---|
| Molecular Mass | 236.1049 |
|---|
| SMILES | CC(CCCC(=O)O)c1ccc(C(=O)O)cc1 |
|---|
| InChI Key | WVYRTSWGPAHDNJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | prenol lipids |
|---|
| Subclass | monoterpenoids |
|---|
| Direct Parent | aromatic monoterpenoids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | benzoic acidsbenzoyl derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmonocyclic monoterpenoidsorganic oxides |
|---|
| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidbenzoylfatty acidbenzoic acid or derivativesp-cymenecarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidbenzenoidbenzoic acidorganooxygen compoundaromatic monoterpenoid |
|---|
