Structure Information
Structure

Compound Identification

SMILES

COC1=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)=C2C=CC(=[O+]C2=C1)C1=CC(O)=C(O)C=C1

InChIKey

InChIKey=JECVTXOPJABFRT-OSKXVONFSA-O

Formula

C22H23O10

Mass

447.415

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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

Anthocyanidin-6-c-glycoside - Anthocyanin - Flavonoid c-glycoside - 7-methoxyflavonoid-skeleton - 5-hydroxyflavonoid - Hydroxyflavonoid - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Hexose monosaccharide - Glycosyl compound - C-glycosyl compound - 1-benzopyran - Benzopyran - Phenol ether - Catechol - Anisole - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Oxane - Monosaccharide - Heteroaromatic compound - Secondary alcohol - Polyol - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Ether - Alcohol - Hydrocarbon derivative - Primary alcohol - Organic oxygen compound - 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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