| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:43:14 UTC |
|---|
| Update Date | 2025-03-25 00:47:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02162964 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H18O13S |
|---|
| Molecular Mass | 450.0468 |
|---|
| SMILES | O=C(C=Cc1ccc(O)c(OS(=O)(=O)O)c1)OC1C(O)C(O)C(O)C(O)C1C(=O)O |
|---|
| InChI Key | HRHGDXMGUVZHAX-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 benzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
|---|
| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupsulfuric acid monoestercarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativephenylsulfatealpha,beta-unsaturated carboxylic esterbeta-hydroxy acidorganic oxidearylsulfateenoate esteralcoholorganic sulfuric acid or derivativescyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholhydroxycinnamic acidaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativessulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
