Structure Information
Structure

Compound Identification

SMILES

[H][C@@]1(C)O[C@]([H])(OC2=C([O+]=C3C=C(O)C=C(O[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@@]([H])(O)[C@@]4([H])O)C3=C2)C2=CC(OC)=C(O)C(OC)=C2)[C@@]([H])(O)[C@@]([H])(O)[C@@]1([H])O

InChIKey

InChIKey=GNUHZLJAPZCZJW-KAOPVWMQSA-O

Formula

C29H35O16

Mass

639.582

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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 - Glycosyl compound - O-glycosyl compound - Benzopyran - Methoxyphenol - M-dimethoxybenzene - Dimethoxybenzene - 1-benzopyran - Phenoxy compound - Phenol ether - Methoxybenzene - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Oxane - Monosaccharide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Secondary alcohol - Oxacycle - Acetal - Organoheterocyclic compound - Polyol - Ether - Organic oxygen compound - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Alcohol - 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

Not available

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