| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:25:23 UTC |
|---|
| Update Date | 2025-03-21 18:38:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00123253 |
|---|
| Frequency | 20.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H18O11 |
|---|
| Molecular Mass | 374.0849 |
|---|
| SMILES | COc1cc(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)cc(O)c1OC |
|---|
| InChI Key | MBDRERYULOPFFC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | tannins |
|---|
| Subclass | hydrolyzable tannins |
|---|
| Direct Parent | hydrolyzable tannins |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolesbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesdimethoxybenzenesglucuronic acid derivativeshydrocarbon derivativesm-methoxybenzoic acids and derivativesmethoxyphenolsmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesp-methoxybenzoic acids and derivativesphenoxy compoundspyran carboxylic acidssecondary alcoholsm-hydroxybenzoic acid esters |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarboxylic acidmethoxyphenolbenzoylo-glucuronidemonosaccharidepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideacetaloxaneorganoheterocyclic compoundhydrolyzable tanninalcoholmethoxybenzeneanisolecarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundcarbonyl groupetherglucuronic acid or derivativesaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidbenzoate esteralkyl aryl ethercarboxylic acid derivativedimethoxybenzeneorganic oxideo-dimethoxybenzenem-methoxybenzoic acid or derivativesm-hydroxybenzoic acid esterpyran carboxylic acid or derivativesbenzoic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundp-methoxybenzoic acid or derivativespyransecondary alcoholbenzenoidorganooxygen compound |
|---|
