| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:21:51 UTC |
|---|
| Update Date | 2025-03-25 01:01:44 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02251369 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16O6 |
|---|
| Molecular Mass | 256.0947 |
|---|
| SMILES | Oc1ccc(C2(O)CC(O)CC(O)C2O)cc1O |
|---|
| InChI Key | RKGRTFLVCMPSDW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | cyclohexylphenols |
|---|
| Direct Parent | cyclohexylphenols |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidscyclitols and derivativescyclohexanolshydrocarbon derivativestertiary alcohols |
|---|
| Substituents | alcoholcyclohexylphenolcyclohexanol1-hydroxy-2-unsubstituted benzenoidcyclitol or derivatives1-hydroxy-4-unsubstituted benzenoidcyclic alcoholaromatic homomonocyclic compoundtertiary alcoholorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativeorganooxygen compound |
|---|
