Structure Information
Structure

Compound Identification

SMILES

[O-]C(=O)C(F)(F)F.COC1=CC(=CC(OC)=C1O)C1=C(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2C(O)=CC(O)=C(C(C)C3=C(O)C=C(O)C4=C3O[C@@H]([C@H](O)C4)C3=CC(O)=C(O)C=C3)C2=[O+]1

InChIKey

InChIKey=YRQLSCSPCGFJIV-JQSOIEBDSA-N

Formula

C42H41F3O20

Mass

922.765

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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

Not available

Substituents

Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - Catechin - 3p-methoxyflavonoid-skeleton - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavan-3-ol - Hydroxyflavonoid - Anthocyanidin - Flavan - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - M-dimethoxybenzene - 1-benzopyran - Dimethoxybenzene - Methoxyphenol - Benzopyran - Chromane - Catechol - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monosaccharide - Oxane - Monocyclic benzene moiety - Benzenoid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid - Acetal - Oxacycle - Polyol - Carbonyl group - Organooxygen compound - Organic zwitterion - Alkyl halide - Alkyl fluoride - Primary alcohol - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organohalogen compound - 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

Not available

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