Structure Information
Structure

Compound Identification

SMILES

[OH-].C[C@@H]1O[C@@H](O[C@H]2[C@@H](OC3=C([O+]=C4C=C(O[C@@H]5O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]5O)C=C(O)C4=C3)C3=CC(O)=C(O)C(O)=C3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

InChIKey

InChIKey=IGKMKMOXNAVVLK-DIFIUSPISA-N

Formula

C36H44O25

Mass

876.723

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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 - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - O-glycosyl compound - Glycosyl compound - Disaccharide - Benzopyran - 1-benzopyran - Pyrogallol derivative - Benzenetriol - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Oxane - Dicarboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Secondary alcohol - Acetal - Carboxylic acid - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Polyol - Organic oxygen compound - Carbonyl group - Organic hydroxide - Organooxygen compound - Primary alcohol - Organic zwitterion - Alcohol - Organic salt - Hydrocarbon derivative - Organic oxide - 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

Not available

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