Structure Information
Structure

Compound Identification

SMILES

COC1=CC(\C=C\C(=O)OCC2O[C@@H](OC3=CC4=[O+]C(=C(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)C=C4C(O)=C3)C3=CC(O)=C(O)C(O[C@@H]4OC(COC(=O)\C=C\C5=CC(OC)=C(O)C(OC)=C5)[C@@H](O)[C@H](O)C4O)=C3)C(O)[C@@H](O)[C@@H]2O)=CC(OC)=C1O

InChIKey

InChIKey=SRALQJSERXBZGK-TUQXFZCLSA-O

Formula

C55H61O30

Mass

1202.062

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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 7-O-p-coumaroyl glycosides - Anthocyanidin 7-O-p-coumaroyl glycosides

Direct Parent

Anthocyanidin 7-O-6-p-coumaroyl glycosides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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

Description

This compound belongs to the class of organic compounds known as anthocyanidin 7-o-6-p-coumaroyl glycosides. These are anthocyanidin 7-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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