Structure Information
Structure

Compound Identification

SMILES

CC1O[C@@H](OCC2O[C@@H](OC3=C([O+]=C4C=C(O[C@@H]5OC(COC(=O)C6=CC=C(O)C=C6)[C@@H](O)[C@H](O)C5O)C=C(O)C4=C3)C3=CC=C(O)C=C3)C(O)[C@@H](O)[C@@H]2O)[C@@H](O)C(O)[C@H]1O

InChIKey

InChIKey=ITPPMHAGKJUWHT-XAZRYUQHSA-O

Formula

C40H45O21

Mass

861.778

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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-7-O-Glycosides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Anthocyanidin-7-o-glycoside - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - Flavonoid-7-o-glycoside - Hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Disaccharide - Glycosyl compound - P-hydroxybenzoic acid alkyl ester - O-glycosyl compound - P-hydroxybenzoic acid ester - 1-benzopyran - Benzoate ester - Benzopyran - Benzoic acid or derivatives - Benzoyl - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Oxane - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Acetal - Oxacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as anthocyanidin-7-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C7-position.

External Descriptors

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