| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:34:20 UTC |
|---|
| Update Date | 2025-03-21 17:56:34 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00002228 |
|---|
| Frequency | 2728.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H16O |
|---|
| Molecular Mass | 164.1201 |
|---|
| SMILES | COc1ccc(C(C)(C)C)cc1 |
|---|
| InChI Key | MCUPBIBNSTXCPQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylpropanes |
|---|
| Direct Parent | phenylpropanes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisoleshydrocarbon derivativesmethoxybenzenesphenoxy compounds |
|---|
| Substituents | phenol etheretheralkyl aryl ethermethoxybenzenephenylpropanearomatic homomonocyclic compoundorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
