Structure Information
Structure

Compound Identification

SMILES

OCC1OC(OC2=C(O)C=C(C=C2)C2=C(O)C=C3C(O)=CC(O)=CC3=[O+]2)C(O)C(O)C1O

InChIKey

InChIKey=CSNMEDJMOXSNRZ-UHFFFAOYSA-O

Formula

C21H21O11

Mass

449.387

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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

Direct Parent

Anthocyanins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Anthocyanin - Anthocyanidin-4p-o-glycoside - Hydroxyflavonoid - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Benzopyran - 1-benzopyran - Phenoxy compound - Phenol ether - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Oxane - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Heteroaromatic compound - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Acetal - Polyol - Alcohol - Organic oxygen compound - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as anthocyanins. These are organic compounds containing a flavylium ion or 2-phenylchromenylium based skeleton bound to a sugar.

External Descriptors

Not available

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