| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:06:48 UTC |
|---|
| Update Date | 2025-03-25 00:56:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02217049 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H18O |
|---|
| Molecular Mass | 178.1358 |
|---|
| SMILES | CCC(O)(CC)c1cccc(C)c1 |
|---|
| InChI Key | HHOACUYWXZHSKC-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 | aromatic alcoholshydrocarbon derivativestertiary alcoholstoluenes |
|---|
| Substituents | aromatic alcoholphenylpropanealcoholaromatic homomonocyclic compoundtertiary alcoholorganic oxygen compoundhydrocarbon derivativetolueneorganooxygen compound |
|---|
