Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=CC(=C1)C1=C(O[C@@H]2O[C@@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@@H]2O)C=C2C(O)=CC(O)=CC2=[O+]1

InChIKey

InChIKey=CKJPGRXYFVEMFF-HLOYXIQTSA-O

Formula

C25H25O14

Mass

549.46

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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

Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - 3p-methoxyflavonoid-skeleton - Hydroxyflavonoid - 7-hydroxyflavonoid - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - Anthocyanidin - O-glycosyl compound - Glycosyl compound - 1-benzopyran - Methoxyphenol - Benzopyran - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Benzenoid - 1,3-dicarbonyl compound - Oxane - Monosaccharide - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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

Not available

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