Structure Information
Structure

Compound Identification

SMILES

[Cl-].COC1=CC(=CC(O)=C1O)C1=C(OC2O[C@H](COC3O[C@@H](C)[C@H](OC(=O)\C=C\C4=CC=C(O)C=C4)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=C2C(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=CC2=[O+]1

InChIKey

InChIKey=DJFIFVQDAVMXSM-CWBWUJHASA-N

Formula

C43H49ClO23

Mass

969.29

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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 - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Coumaric acid ester - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid ester - O-glycosyl compound - Glycosyl compound - Disaccharide - Methoxyphenol - 1-benzopyran - Benzopyran - Phenoxy compound - Methoxybenzene - Anisole - Phenol ether - Catechol - Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Fatty acid ester - Oxane - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary alcohol - Carboxylic acid ester - Polyol - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Acetal - Oxacycle - Organoheterocyclic compound - Primary alcohol - Organic oxide - Organic salt - Organic chloride salt - Hydrocarbon derivative - Alcohol - Organic zwitterion - Organic oxygen compound - Organooxygen compound - Carbonyl group - 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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