| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:07:51 UTC |
|---|
| Update Date | 2025-03-25 00:56:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02219500 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H20O12S |
|---|
| Molecular Mass | 448.0675 |
|---|
| SMILES | COc1cc(C=CC(=O)OC2CC(C(=O)O)C(O)C(O)C2OS(=O)(=O)O)ccc1O |
|---|
| InChI Key | HZMRHTSYZBYSQU-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 | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalkyl sulfatesanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundssulfuric acid monoesters |
|---|
| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupsulfuric acid monoesterethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativealpha,beta-unsaturated carboxylic esterbeta-hydroxy acidorganic oxidealkyl sulfate1,2-diolenoate esteralcoholorganic sulfuric acid or derivativescyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativessulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
