Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1O[C@@H](OC2=C(OC3=CC(=O)C=C(O[C@@H]4O[C@H](COC(=O)\C=C\C5=CC(O)=C(O)C=C5)[C@@H](O)[C@H](O)[C@H]4O)C3=C2)C2=CC(O)=C(O)C(O[C@@H]3O[C@H](COC(=O)\C=C\C4=CC(O)=C(O)C=C4)[C@@H](O)[C@H](O)[C@H]3O)=C2)[C@H](O)[C@@H](O)[C@@H]1O

InChIKey

InChIKey=GRUAPVJXCRTZQE-MDGDASCCSA-N

Formula

C51H52O28

Mass

1112.949

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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 5-O-p-coumaroyl glycosides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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

Description

This compound belongs to the class of organic compounds known as flavonoid 5-o-p-coumaroyl glycosides. These are flavonoid 5-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

Not available

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