| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:29:17 UTC |
|---|
| Update Date | 2025-03-21 18:41:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00132468 |
|---|
| Frequency | 19.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H16O3 |
|---|
| Molecular Mass | 196.1099 |
|---|
| SMILES | COc1cc(C(C)(C)CO)ccc1O |
|---|
| InChI Key | KVAGCULENKBJIA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | methoxyphenols |
|---|
| Direct Parent | methoxyphenols |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalcohols and polyolsalkyl aryl ethersanisoleshydrocarbon derivativesmethoxybenzenesphenoxy compoundsphenylpropanes |
|---|
| Substituents | alcoholphenol ethermonocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethermethoxybenzenephenylpropanearomatic homomonocyclic compoundorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
