Structure Information
Structure

Compound Identification

SMILES

COC1=CC(\C=C\C(=O)OCC2O[C@@H](OCC3O[C@@H](OC4=C([O+]=C5C=C(O)C=C(O)C5=C4)C4=CC(O)=C(O)C=C4)C(O[C@@H]4OC[C@@H](O)C(O)[C@H]4O)C(O)[C@H]3O)C(O)[C@@H](O)[C@@H]2O)=CC(OC)=C1O

InChIKey

InChIKey=LWQKGKRDBZVYNE-WLCIGXKTSA-O

Formula

C43H49O24

Mass

949.84

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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 - Flavonoid 3-O-p-coumaroyl glycosides - Anthocyanidin 3-O-p-coumaroyl glycosides

Direct Parent

Anthocyanidin 3-O-6-p-coumaroyl glycosides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Anthocyanidin 3-o-6-p-coumaroyl-glycoside - Oligosaccharide - Anthocyanin - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - Hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Anthocyanidin - Hydroxycinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid ester - Glycosyl compound - O-glycosyl compound - Benzopyran - M-dimethoxybenzene - Dimethoxybenzene - Methoxyphenol - 1-benzopyran - Phenoxy compound - Catechol - Methoxybenzene - Anisole - Styrene - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Oxane - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary alcohol - Carboxylic acid ester - Polyol - Acetal - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Carbonyl group - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as anthocyanidin 3-o-6-p-coumaroyl glycosides. These are anthocyanidin 3-O-glycosides where the carbohydrate moiety is esterified at the C6 position 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

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