Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1O[C@@H](OC2=CC=C(\C=C\C(=O)OC[C@H]3O[C@@H](OC4=C(OC5=CC(=O)C=C(O[C@@H]6O[C@H](COC(=O)CC([O-])=O)[C@@H](O)[C@H](O)[C@H]6O)C5=C4)C4=CC(O)=C(O)C=C4)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@@H]3O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O

InChIKey

InChIKey=MQNHSSSWTWCFJM-RBRVVFPSSA-M

Formula

C50H55O30

Mass

1135.961

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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 - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - Hydroxyflavonoid - Phenolic glycoside - Cinnamic acid or derivatives - Cinnamic acid ester - Disaccharide - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Tricarboxylic acid or derivatives - Phenoxy compound - Catechol - Phenol ether - Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Monocyclic benzene moiety - Benzenoid - Oxane - 1,3-dicarbonyl compound - Fatty acyl - Heteroaromatic compound - Vinylogous ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Cyclic ketone - Carboxylic acid salt - Carboxylic acid ester - Secondary alcohol - Acetal - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Alcohol - Primary alcohol - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic anion - 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

Not available

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