Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=CC(\C=C\C(=O)O[C@@H]2[C@@H](O[C@@H]3[C@@H](OC4=CC=C(C=C4)C4=CC(=O)C5=C(O)C=C(O)C=C5O4)O[C@H]([C@H](O)[C@H]3O)C(O)=O)O[C@H]([C@H](O)[C@H]2O)C(O)=O)=C1

InChIKey

InChIKey=LNCLTICCQWMCNS-ZPPGLCOLSA-N

Formula

C37H34O20

Mass

798.659

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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-4p-o-glucuronide - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Flavone - Phenolic glycoside - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Alkyl glycoside - Cinnamic acid ester - Cinnamic acid or derivatives - Hydroxycinnamic acid or derivatives - Coumaric acid or derivatives - O-glycosyl compound - Glycosyl compound - Chromone - Disaccharide - Benzopyran - Methoxyphenol - 1-benzopyran - Tricarboxylic acid or derivatives - Phenoxy compound - Phenol ether - Methoxybenzene - Anisole - Styrene - Beta-hydroxy acid - Fatty acid ester - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - Benzenoid - Hydroxy acid - Oxane - Fatty acyl - Monocyclic benzene moiety - Pyran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous acid - Heteroaromatic compound - Carboxylic acid ester - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Ether - Oxacycle - Organoheterocyclic compound - Acetal - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - 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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