Structure Information
Structure

Compound Identification

SMILES

O[C@H]1[C@H](O)[C@@H](OC2=C(O[C@H]3O[C@H]([C@H](O)[C@@H](O)[C@@H]3O)C(O)=O)C=C(C=C2)C2=C(OS(O)(=O)=O)C(=O)C3=CC=CC=C3O2)O[C@H]([C@@H]1O)C(O)=O

InChIKey

InChIKey=FXDPMFWJYAFMHP-ATJYZMNESA-N

Formula

C27H26O20S

Mass

702.55

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Flavonoids

Subclass

Flavonoid glycosides

Intermediate Tree Nodes

Flavonoid O-glycosides

Direct Parent

Flavonoid O-glucuronides

Alternative Parents

3-sulfated flavonoids Flavones Phenolic glycosides Fatty acyl glycosides of mono- and disaccharides O-glucuronides Alkyl glycosides Chromones O-glycosyl compounds Arylsulfates Phenoxy compounds Phenol ethers Pyranones and derivatives Beta hydroxy acids and derivatives Sulfuric acid monoesters Oxanes Dicarboxylic acids and derivatives Monosaccharides Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Carboxylic acids Acetals Polyols Carbonyl compounds Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Flavonoid-4p-o-glucuronide - Flavonoid-3p-o-glucuronide - 3-sulfated flavonoid - Flavone - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Alkyl glycoside - Chromone - O-glycosyl compound - Glycosyl compound - Benzopyran - 1-benzopyran - Arylsulfate - Phenol ether - Phenoxy compound - Beta-hydroxy acid - Pyranone - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Sulfuric acid ester - Sulfate-ester - Sulfuric acid monoester - Hydroxy acid - Monosaccharide - Pyran - Oxane - Organic sulfuric acid or derivatives - Heteroaromatic compound - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Acetal - Carboxylic acid derivative - Carboxylic acid - Polyol - Organic oxygen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as flavonoid o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid.

External Descriptors

Not available

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