| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:42:54 UTC |
|---|
| Update Date | 2025-03-25 00:47:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02162193 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H20O4 |
|---|
| Molecular Mass | 264.1362 |
|---|
| SMILES | O=C(O)CC1CCC(O)(Cc2cccc(O)c2)CC1 |
|---|
| InChI Key | WNVDYXSKPGGKOH-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidcyclohexanol1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcyclic alcoholcarboxylic acid derivativearomatic homomonocyclic compoundtertiary alcoholorganic oxidemonocarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoid |
|---|
