Structure Information
Structure

Compound Identification

SMILES

OCC1O[C@@H](OC2[C@@H](O)[C@H](O)C(COC(=O)\C=C\C3=CC=C(O)C=C3)O[C@H]2OC2=C([O+]=C3C=C(O)C=C(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)C3=C2)C2=CC=C(O)C=C2)C(O)[C@@H](O)[C@@H]1O

InChIKey

InChIKey=ABHFLYVGOLPRKB-RXVHAPBTSA-O

Formula

C42H47O22

Mass

903.815

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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 - Anthocyanin - Anthocyanidin-5-o-glycoside - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - 7-hydroxyflavonoid - 4'-hydroxyflavonoid - Hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Coumaric acid ester - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Cinnamic acid or derivatives - Coumaric acid or derivatives - O-glycosyl compound - Glycosyl compound - Disaccharide - Benzopyran - 1-benzopyran - Styrene - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Oxane - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Polyol - Oxacycle - Acetal - Organoheterocyclic compound - Primary alcohol - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Alcohol - 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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