Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(O)=C1O)C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2C(O)=CC(O[C@@H]3O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]3O)=CC2=[O+]1

InChIKey

InChIKey=PLBCOVKJYGHOKP-ZDMNWCQHSA-O

Formula

C31H35O20

Mass

727.6

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