| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:54:29 UTC |
|---|
| Update Date | 2025-03-21 18:04:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00049323 |
|---|
| Frequency | 66.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16O3 |
|---|
| Molecular Mass | 208.1099 |
|---|
| SMILES | COc1ccc(CCC(C)=O)cc1OC |
|---|
| InChI Key | RVTJUTXCUYSHAZ-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 ethersanisoleshydrocarbon derivativesketonesorganic oxidesphenoxy compounds |
|---|
| Substituents | phenol ethercarbonyl groupetheralkyl aryl etherketonearomatic homomonocyclic compounddimethoxybenzeneorganic oxideorganic oxygen compoundanisoleo-dimethoxybenzenehydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
