Structure Information
Structure

Compound Identification

SMILES

CC1O[C@@H](OC2=CC(O)=C3C(OC(C4=CC(O)=C(O)C=C4)=C(O[C@@H]4OC(COC(=O)\C=C\C5=CC=C(O)C=C5)[C@@H](O)[C@H](O)C4O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)C3=O)=C2)[C@@H](O)C(O)[C@H]1O

InChIKey

InChIKey=YYBUGTDXSVDSBB-KEJUPEAOSA-N

Formula

C42H46O23

Mass

918.807

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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 3-O-p-coumaroyl glycosides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Flavonoid 3-o-6-p-coumaroyl-glycoside - Flavonoid-3-o-glycoside - Flavonoid-7-o-glycoside - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Hydroxyflavonoid - Flavone - Phenolic glycoside - Coumaric acid ester - Cinnamic acid ester - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - O-glycosyl compound - Chromone - Disaccharide - Glycosyl compound - Benzopyran - 1-benzopyran - Catechol - Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Pyranone - Oxane - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Pyran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Vinylogous acid - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Polyol - Oxacycle - Organic oxide - Primary alcohol - Carbonyl group - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as flavonoid 3-o-p-coumaroyl glycosides. These are flavonoid 3-O-glycosides where the carbohydrate moiety is esterified with a p-coumaric acid. P-coumaric acid is an organic derivative of cinnamic acid, that carries a hydroxyl group at the 4-position of the benzene ring.

External Descriptors

LIPIDMAPS (LMPK12112267) : Flavones and Flavonols

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