| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:48 UTC |
|---|
| Update Date | 2025-03-25 00:50:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02180349 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H18O3 |
|---|
| Molecular Mass | 234.1256 |
|---|
| SMILES | COc1ccc(C(=O)C2CCCC2)c(OC)c1 |
|---|
| InChI Key | ZPTWZHRIAPSAQB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alkyl-phenylketones |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolesaryl alkyl ketonesbenzoyl derivativesdimethoxybenzeneshydrocarbon derivativesorganic oxidesphenoxy compounds |
|---|
| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonebenzoylalkyl aryl ethermethoxybenzenearomatic homomonocyclic compounddimethoxybenzeneorganic oxidem-dimethoxybenzeneanisolehydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketone |
|---|
