| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:55:01 UTC |
|---|
| Update Date | 2025-03-21 18:04:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00050540 |
|---|
| Frequency | 64.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H20O9 |
|---|
| Molecular Mass | 368.1107 |
|---|
| SMILES | COc1cc(C=CC(=O)OC2C(C(=O)O)CC(O)C(O)C2O)ccc1O |
|---|
| InChI Key | UJARTOCTKKCERU-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 benzenoidsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compounds |
|---|
| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxideenoate esteralcoholcyclohexanolcyclitol or derivativescyclic alcoholmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
