Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1O)C1=C(O[C@@H]2O[C@H](CO[C@@H]3OC(C)[C@H](OC(=O)\C=C\C4=CC=C(O[C@@H]5OC(COC(=O)\C=C\C6=CC(OC)=C(O)C=C6)[C@@H](O)[C@H](O)C5O)C=C4)C(O)[C@@H]3O)[C@@H](O)C(O)C2O)C=C2C(O[C@@H]3OC(CO)C(O)[C@H](O)C3O)=CC(O)=CC2=[O+]1

InChIKey

InChIKey=LSCQMHPBMUDNRC-NCNOCCMDSA-O

Formula

C60H69O31

Mass

1286.18

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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 - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Coumaric acid or derivatives - Cinnamic acid or derivatives - Disaccharide - O-glycosyl compound - Glycosyl compound - M-dimethoxybenzene - Dimethoxybenzene - Benzopyran - Methoxyphenol - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Styrene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Dicarboxylic acid or derivatives - Oxane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Carboxylic acid ester - Secondary alcohol - Oxacycle - Carboxylic acid derivative - Ether - Acetal - Polyol - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Primary alcohol - Alcohol - Hydrocarbon derivative - 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

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