Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(C(OS(O)(=O)=O)=C1)C(=O)C(OS(O)(=O)=O)=C(O2)C1=CC(OC2OC(C(O)C(O)C2O)C(O)=O)=C(OS(O)(=O)=O)C=C1

InChIKey

InChIKey=BDLZZWXHVPQDMW-UHFFFAOYSA-N

Formula

C22H20O22S3

Mass

732.56

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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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Flavonoid-3p-o-glucuronide - 3-sulfated flavonoid - 7-methoxyflavonoid-skeleton - Flavone - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Chromone - Glycosyl compound - O-glycosyl compound - Phenylsulfate - Benzopyran - 1-benzopyran - Arylsulfate - Phenol ether - Anisole - Phenoxy compound - Beta-hydroxy acid - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Sulfuric acid ester - Sulfate-ester - Sulfuric acid monoester - Hydroxy acid - Monosaccharide - Pyran - Oxane - Organic sulfuric acid or derivatives - Heteroaromatic compound - Secondary alcohol - Oxacycle - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Ether - Acetal - Carbonyl group - Organooxygen compound - Organic oxide - Alcohol - Organic oxygen compound - Hydrocarbon derivative - 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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