Structure Information
Structure

Compound Identification

SMILES

C[C@H]1O[C@@H](OC2=C([O+]=C3C=C(O)C=C(O[C@@H]4O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]4O)C3=C2)C2=CC(O[C@@H]3O[C@H](COC(=O)\C=C\C4=CC(O)=C(O)C=C4)[C@@H](O)[C@H](O)[C@H]3O)=C(O)C(O[C@@H]3O[C@H](COC(=O)\C=C\C4=CC(O)=C(O)C=C4)[C@@H](O)[C@H](O)[C@H]3O)=C2)[C@H](O)[C@H](OC(=O)\C=C\C2=CC=C(O)C=C2)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChIKey

InChIKey=MEMJTKABVOIASN-KIQNYASZSA-O

Formula

C75H81O42

Mass

1654.43

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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 3p-O-p-coumaroyl glycosides - Anthocyanidin 3p-O-p-coumaroyl glycosides

Direct Parent

Anthocyanidin 3p-O-6-p-coumaroyl glycosides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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

Description

This compound belongs to the class of organic compounds known as anthocyanidin 3p-o-6-p-coumaroyl glycosides. These are anthocyanidin 3p-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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