| Record Information |
|---|
| HMDB Status | predicted |
|---|
| Creation Date | 2024-02-20 23:36:06 UTC |
|---|
| Update Date | 2025-03-21 17:57:12 UTC |
|---|
| HMDB ID | HMDB0124885 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00006366 |
|---|
| Name | 3,4,5-trihydroxy-6-{[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}oxane-2-carboxylic acid |
|---|
| Frequency | 812.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H22O11 |
|---|
| Molecular Mass | 414.1162 |
|---|
| SMILES | COc1cc(C=CC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)cc(OC)c1OC |
|---|
| InChI Key | KSLYXBOFIRPLJD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | o-glucuronides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscinnamic acids and derivativesdicarboxylic acids and derivativesenoate estersfatty acid estersglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
|---|
| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesbeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundenoate esteralcoholpyran carboxylic acid or derivativeshydroxy acidmethoxybenzeneoxacyclefatty acid esterpyrananisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compound |
|---|
