| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:12 UTC |
|---|
| Update Date | 2025-03-25 00:50:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02178980 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H18O4 |
|---|
| Molecular Mass | 238.1205 |
|---|
| SMILES | COc1ccc(CC(C)OC(C)=O)cc1OC |
|---|
| InChI Key | IXEOIWOPFHRIST-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | methoxybenzenes |
|---|
| Direct Parent | dimethoxybenzenes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylpropanes |
|---|
| Substituents | phenol ethercarbonyl groupetheralkyl aryl ethercarboxylic acid derivativephenylpropanearomatic homomonocyclic compounddimethoxybenzeneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisoleo-dimethoxybenzenecarboxylic acid esterhydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
