Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C2=C([O+]=C(C=C2)C2=CC=C(O)C=C2)C([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1O

InChIKey

InChIKey=BDKDKCSPBMMWNE-GGSOGRQBSA-O

Formula

C27H31O14

Mass

579.53

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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-8-c-glycoside - Anthocyanidin-6-c-glycoside - Flavonoid c-glycoside - Flavonoid-8-c-glycoside - 4'-hydroxyflavonoid - Hydroxyflavonoid - 7-hydroxyflavonoid - 5-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Hexose monosaccharide - C-glycosyl compound - Glycosyl compound - 1-benzopyran - Benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Oxane - Monosaccharide - Heteroaromatic compound - Secondary alcohol - Ether - Dialkyl ether - Organoheterocyclic compound - Oxacycle - Polyol - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Alcohol - 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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