| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:46:11 UTC |
|---|
| Update Date | 2025-03-25 00:48:42 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02169732 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H22O3 |
|---|
| Molecular Mass | 238.1569 |
|---|
| SMILES | CCc1cc(C(O)CO)cc(C(C)(C)C)c1O |
|---|
| InChI Key | PWGIDIRALHWREX-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 | 1,2-diolsaromatic alcoholshydrocarbon derivativesphenolsprimary alcoholssecondary alcohols |
|---|
| Substituents | aromatic alcoholalcoholphenylpropanearomatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativeprimary alcoholorganooxygen compound1,2-diol |
|---|
