| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:51:02 UTC |
|---|
| Update Date | 2025-03-25 00:50:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02180879 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16O4 |
|---|
| Molecular Mass | 224.1049 |
|---|
| SMILES | OC1CC(O)(c2ccccc2)CC(O)C1O |
|---|
| InChI Key | BTBBUTMWEVLGGI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | cyclohexanols |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | benzene and substituted derivativescyclitols and derivativeshydrocarbon derivativestertiary alcohols |
|---|
| Substituents | monocyclic benzene moietycyclohexanolcyclitol or derivativescyclic alcoholaromatic homomonocyclic compoundtertiary alcoholhydrocarbon derivativebenzenoid |
|---|
