| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:14:14 UTC |
|---|
| Update Date | 2025-03-21 18:33:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00096169 |
|---|
| Frequency | 28.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H18O4 |
|---|
| Molecular Mass | 238.1205 |
|---|
| SMILES | COC(=O)c1cc(CO)c(O)c(C(C)(C)C)c1 |
|---|
| InChI Key | VLAPUORDEWIKCA-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 | aromatic alcoholsbenzoyl derivativesbenzyl alcoholshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesphenolsphenylpropanes |
|---|
| Substituents | aromatic alcoholalcoholbenzoylbenzyl alcoholcarboxylic acid derivativep-hydroxybenzoic acid alkyl esterphenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativeorganooxygen compound |
|---|
