Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](COC(=O)CC(O)=O)O[C@H]2OC2=C([O+]=C3C=C(O[C@@H]4O[C@H](COC(=O)\C=C\C5=CC(O)=C(O)C=C5)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C3=C2)C2=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C(O)C=C2)[C@H](OC(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@@H](O)[C@@H]1O

InChIKey

InChIKey=FDMQYKVKAFBUFL-SKSQZSFPSA-O

Formula

C60H63O36

Mass

1360.127

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

Not available

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