Structure Information
Structure

Compound Identification

SMILES

O[C@H]1[C@H](OC2=C(O)C=C(O)C3=C2OC(=CC3=O)C2=CC=C(O)C=C2)O[C@@H]([C@@H](O)[C@@H]1OS(O)(=O)=O)C(O)=O

InChIKey

InChIKey=RUJCBFMBNQPWBK-DLSLMLROSA-N

Formula

C21H18O15S

Mass

542.42

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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 - Hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavone - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - O-glycosyl compound - Chromone - Glycosyl compound - Benzopyran - 1-benzopyran - Pyranone - Phenol - Beta-hydroxy acid - 1-hydroxy-2-unsubstituted benzenoid - Sulfuric acid monoester - Alkyl sulfate - Pyran - Oxane - Sulfuric acid ester - Benzenoid - Monocyclic benzene moiety - Monosaccharide - Sulfate-ester - Hydroxy acid - Heteroaromatic compound - Vinylogous acid - Organic sulfuric acid or derivatives - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Acetal - Monocarboxylic acid or derivatives - Organic oxide - Carbonyl group - Organic oxygen compound - Alcohol - Organooxygen compound - Hydrocarbon derivative - 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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