| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:49:09 UTC |
|---|
| Update Date | 2025-03-25 00:49:47 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02176573 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H18O4 |
|---|
| Molecular Mass | 214.1205 |
|---|
| SMILES | COC(=O)C1=C(C)OC(C(C)(C)O)CC1 |
|---|
| InChI Key | VLPWYPJIMCMOKF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | tertiary alcohols |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundsenoate estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsvinylogous esters |
|---|
| Substituents | enoate estercarbonyl groupvinylogous estercarboxylic acid derivativeoxacyclealpha,beta-unsaturated carboxylic estertertiary alcoholorganic oxidemonocarboxylic acid or derivativesmethyl estercarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeorganoheterocyclic compound |
|---|
