| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:43:07 UTC |
|---|
| Update Date | 2025-03-25 00:47:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02162719 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H14O3 |
|---|
| Molecular Mass | 194.0943 |
|---|
| SMILES | O=C(CCOCCO)c1ccccc1 |
|---|
| InChI Key | DJNIYVZVMJUWLU-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 | alcohols and polyolsaryl alkyl ketonesbenzoyl derivativesdialkyl ethershydrocarbon derivativesorganic oxides |
|---|
| Substituents | alcoholmonocyclic benzene moietyetheraryl alkyl ketonebenzoyldialkyl etheraromatic homomonocyclic compoundorganic oxidehydrocarbon derivativebenzenoidalkyl-phenylketone |
|---|
