| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:53 UTC |
|---|
| Update Date | 2025-03-25 00:50:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02180556 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H24O3 |
|---|
| Molecular Mass | 264.1725 |
|---|
| SMILES | COc1ccc(C(C)(CC(=O)O)CC(C)(C)C)cc1 |
|---|
| InChI Key | CYPPANQKJFIUEM-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 | alkyl aryl ethersanisolescarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethoxybenzenesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
|---|
| Substituents | fatty acylcarbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidfatty acidalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy acidorganic oxidemedium-chain fatty acidmethyl-branched fatty acidmethoxybenzenebranched fatty acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
