| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:54:11 UTC |
|---|
| Update Date | 2025-03-21 18:04:07 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00048570 |
|---|
| Frequency | 68.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C20H20O9 |
|---|
| Molecular Mass | 404.1107 |
|---|
| SMILES | COc1cc(C=CC(=O)OC(Cc2ccc(O)c(O)c2)C(=O)O)cc(OC)c1O |
|---|
| InChI Key | OUFBSIDMYSCEAF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | cinnamic acids and derivatives |
|---|
| Subclass | hydroxycinnamic acids and derivatives |
|---|
| Direct Parent | hydroxycinnamic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdimethoxybenzenesenoate estersfatty acid estershydrocarbon derivativesmethoxyphenolsorganic oxidesphenoxy compoundsphenylpropanoic acids |
|---|
| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativedimethoxybenzenealpha,beta-unsaturated carboxylic esterorganic oxideenoate ester1-hydroxy-4-unsubstituted benzenoidmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundm-dimethoxybenzeneanisolecarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
