Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1O)C1=C(OC2O[C@H](C(O)C(C)=O)[C@H](O)[C@H](O)[C@H]2O)C=C2C(O)=CC(O)=CC2=[O+]1

InChIKey

InChIKey=ZBMTWNYLEATHRK-PVZYUVFOSA-O

Formula

C25H27O13

Mass

535.477

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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 - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Anthocyanidin - Glycosyl compound - O-glycosyl compound - Dimethoxybenzene - M-dimethoxybenzene - Benzopyran - 1-benzopyran - Methoxyphenol - Methoxybenzene - Anisole - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monosaccharide - Oxane - Monocyclic benzene moiety - Acyloin - Benzenoid - Heteroaromatic compound - Alpha-hydroxy ketone - Ketone - Secondary alcohol - Polyol - Ether - Oxacycle - Organoheterocyclic compound - Acetal - Organic oxygen compound - Carbonyl group - Aldehyde - Alcohol - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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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