Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=CC(=C1)C1=C(O[C@@H]2OC(COC(=O)\C=C\C3=CC(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)=C(O)C=C3)[C@@H](O)C(O)C2O)C=C2C(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)=CC(O)=CC2=[O+]1

InChIKey

InChIKey=MRYLLGRTCPVXBO-KPECNTSSSA-O

Formula

C43H49O24

Mass

949.84

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