| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:01 UTC |
|---|
| Update Date | 2025-03-25 00:46:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02153529 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H16O6 |
|---|
| Molecular Mass | 280.0947 |
|---|
| SMILES | COc1ccc(C=CC(=O)OCC(O)C(O)C=O)cc1 |
|---|
| InChI Key | PQKKVWSLPHJGAE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | cinnamic acids and derivatives |
|---|
| Subclass | cinnamic acids and derivatives |
|---|
| Direct Parent | cinnamic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1,2-diolsalkyl aryl ethersalpha-hydroxyaldehydesanisolesbeta-hydroxy aldehydesenoate estersfatty acid estershydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesphenoxy compoundssecondary alcohols |
|---|
| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupbeta-hydroxy aldehydeethermonosaccharidealkyl aryl ethercarboxylic acid derivativealpha,beta-unsaturated carboxylic estercinnamic acid or derivativessaccharideorganic oxidealpha-hydroxyaldehyde1,2-diolenoate esteralcoholaldehydemethoxybenzenearomatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
