Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=CC(\C=C\C(=O)OCC2O[C@@H](OC3=CC(O)=CC4=[O+]C(=C(O[C@@H]5OC(CO[C@@H]6OC(C)[C@H](O)[C@H](O)C6O)[C@H](O)C(O)C5O)C=C34)C3=CC(O)=C(O)C(O)=C3)C(O)[C@@H](O)[C@@H]2O)=C1

InChIKey

InChIKey=XSHPSKFSSTZIJP-SNYWEUBJSA-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 5-O-p-coumaroyl glycosides - Anthocyanidin 5-O-p-coumaroyl glycosides

Direct Parent

Anthocyanidin 5-O-6-p-coumaroyl glycosides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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

Description

This compound belongs to the class of organic compounds known as anthocyanidin 5-o-6-p-coumaroyl glycosides. These are anthocyanidin 5-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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