Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1[C@@H](O)C(OC2=C3C(OC(C4=CC(O)=C(O)C=C4)=C(OS(O)(=O)=O)C3=O)=CC(O)=C2)O[C@@H]([C@H]1O)C(O)=O

InChIKey

InChIKey=MUNIKFQDCPCQCR-MBIBTLSJSA-N

Formula

C21H18O16S

Mass

558.42

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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

Direct Parent

Flavonoid O-glucuronides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Flavonoid-5-o-glucuronide - 3-sulfated flavonoid - Hydroxyflavonoid - 3'-hydroxyflavonoid - Flavone - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Hexose monosaccharide - Chromone - Glycosyl compound - O-glycosyl compound - 1-benzopyran - Arylsulfate - Benzopyran - Catechol - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Beta-hydroxy acid - 1-hydroxy-4-unsubstituted benzenoid - Pyran - Monocyclic benzene moiety - Oxane - Benzenoid - Hydroxy acid - Sulfuric acid ester - Monosaccharide - Sulfate-ester - Sulfuric acid monoester - Vinylogous ester - Heteroaromatic compound - Organic sulfuric acid or derivatives - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Polyol - Acetal - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - 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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