| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:59:56 UTC |
|---|
| Update Date | 2025-03-25 00:53:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02201142 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H22O13S |
|---|
| Molecular Mass | 478.0781 |
|---|
| SMILES | COc1cc(C=CC(=O)OC2C(O)CC(O)(C(=O)O)CC(O)C2O)ccc1OS(=O)(=O)O |
|---|
| InChI Key | LZXVJHGBUVFEOE-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 | alkyl aryl ethersalpha hydroxy acids and derivativesanisolescarbonyl compoundscarboxylic acidscyclic alcohols and derivativesdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundsphenylsulfatessecondary alcoholssulfuric acid monoesterstertiary alcohols |
|---|
| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupsulfuric acid monoesterethercarboxylic acidalpha-hydroxy acidalkyl aryl ethercarboxylic acid derivativephenylsulfatealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxidearylsulfateenoate esteralcoholorganic sulfuric acid or derivativeshydroxy acidcyclic alcoholmethoxybenzenearomatic homomonocyclic compoundfatty acid estertertiary alcoholorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
