| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-21 00:24:59 UTC |
|---|
| Update Date | 2025-03-21 18:38:43 UTC |
|---|
| HMDB ID | HMDB0301725 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00122327 |
|---|
| Name | 3,4-Diferuloylquinic acid |
|---|
| Frequency | 21.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C27H28O12 |
|---|
| Molecular Mass | 544.1581 |
|---|
| SMILES | COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2OC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |
|---|
| InChI Key | WCIDSNIXNCYSPH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | quinic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha hydroxy acids and derivativesanisolescarbonyl compoundscarboxylic acidscyclohexanolsenoate estersfatty acid estershydrocarbon derivativeshydroxycinnamic acidsmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundstertiary alcoholstricarboxylic acids and derivatives |
|---|
| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenoltricarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativehydroxycinnamic acid or derivativesalpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxideenoate estercyclohexanolhydroxy acidmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundfatty acid estertertiary alcoholanisolecarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundquinic acid |
|---|
