| Record Information |
|---|
| HMDB Status | detected |
|---|
| Creation Date | 2024-02-21 00:09:19 UTC |
|---|
| Update Date | 2025-03-21 18:31:09 UTC |
|---|
| HMDB ID | HMDB0061935 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00084477 |
|---|
| Name | 3,5-Bis(1,1-dimethylethyl)-4-hydroxy-benzoic acid ethyl ester |
|---|
| Frequency | 34.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H24O3 |
|---|
| Molecular Mass | 264.1725 |
|---|
| SMILES | COC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 |
|---|
| InChI Key | UPVYFJALDJUSOV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | p-hydroxybenzoic acid alkyl esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | benzoyl derivativeshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenolsphenylpropanes |
|---|
| Substituents | benzoylcarboxylic acid derivativep-hydroxybenzoic acid alkyl esterphenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativeorganooxygen compound |
|---|
