Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C(OC3OC(C(O)C(O)C3OS([O-])(=O)=O)C(O)=O)=C2O1

InChIKey

InChIKey=XRHYTEAKTRSKAB-UHFFFAOYSA-M

Formula

C22H19O15S

Mass

555.44

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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 - Flavonoid O-glucuronides

Direct Parent

Flavonoid-8-O-glucuronides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Flavonoid-8-o-glucuronide - Flavonoid-8-o-glycoside - 4p-methoxyflavonoid-skeleton - Hydroxyflavonoid - Flavone - 7-hydroxyflavonoid - 5-hydroxyflavonoid - Phenolic glycoside - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Chromone - 1-benzopyran - Benzopyran - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Beta-hydroxy acid - Alkyl aryl ether - Benzenoid - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Pyran - Oxane - Monosaccharide - Hydroxy acid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Organic sulfuric acid or derivatives - Secondary alcohol - 1,2-diol - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Organic anion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as flavonoid-8-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C8-position.

External Descriptors

Not available

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