Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1CO[C@@H](OC2C(O)[C@@H](O)C(CO[C@@H]3OC(COC(=O)C4=CC=C(O)C=C4)[C@@H](O)[C@H](O)C3O)O[C@H]2OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C=C2)[C@H](O)C1O

InChIKey

InChIKey=NKWMVPVTAGESHZ-QBFLQYBBSA-O

Formula

C39H43O22

Mass

863.75

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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-3-O-glycosides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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

Description

This compound belongs to the class of organic compounds known as anthocyanidin-3-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position.

External Descriptors

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