Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1O)C1=C(O[C@@H]2O[C@H](CO[C@@H]3OC(C)[C@H](OC(=O)CC(O)=O)C(O)[C@@H]3O)[C@@H](O)C(O)C2O)C=C2C(O[C@@H]3OC(COC(=O)CC(O)=O)[C@@H](O)[C@H](O)C3O)=CC(O)=CC2=[O+]1

InChIKey

InChIKey=DKMCQLLKQIUMOU-ROWQXFHFSA-O

Formula

C41H49O27

Mass

973.815

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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 - Anthocyanins

Direct Parent

Anthocyanidin-5-O-glycosides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Anthocyanidin-5-o-glycoside - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - 3p-methoxyflavonoid-skeleton - Hydroxyflavonoid - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Tetracarboxylic acid or derivatives - O-glycosyl compound - Glycosyl compound - Disaccharide - 1-benzopyran - Benzopyran - Methoxyphenol - M-dimethoxybenzene - Dimethoxybenzene - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Oxane - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Acetal - Polyol - Ether - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as anthocyanidin-5-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C5-position.

External Descriptors

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