Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1O[C@@H](O[C@H]2[C@H](OC3=C([O+]=C4C=C(O[C@@H]5O[C@H](COC(=O)\C=C\C6=CC(O)=C(O)C=C6)[C@@H](O)[C@@H](O)[C@H]5O)C=C(O)C4=C3)C3=CC(O[C@@H]4O[C@@H]([C@H](O)[C@@H](O)[C@H]4O)C(O)=O)=C(O)C=C3)O[C@H](COC(=O)CC(=O)OC(C(O)C(O)=O)C(O)=O)[C@H](O)[C@H]2O)[C@H](OC(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H]1O

InChIKey

InChIKey=KXTNSKPGQDSDFJ-IRURTTCGSA-O

Formula

C64H67O41

Mass

1492.198

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