Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1O[C@@H](OC2=CC(=CC(O)=C2O)C2=C(O)C=C3C(O)=CC(O)=CC3=[O+]2)[C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@H]1O

InChIKey

InChIKey=UXXMDNQESOLZEI-JGSGXJSYSA-O

Formula

C28H25O16

Mass

617.491

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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-3p-o-glycoside - Hydroxyflavonoid - 3'-hydroxyflavonoid - 7-hydroxyflavonoid - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - 3-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Galloyl ester - Gallic acid or derivatives - Hexose monosaccharide - P-hydroxybenzoic acid alkyl ester - O-glycosyl compound - Glycosyl compound - P-hydroxybenzoic acid ester - M-hydroxybenzoic acid ester - Benzoate ester - Benzopyran - 1-benzopyran - Benzenetriol - Benzoic acid or derivatives - Pyrogallol derivative - Phenol ether - Catechol - Phenoxy compound - Benzoyl - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Monosaccharide - Oxane - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Polyol - Monocarboxylic acid or derivatives - Acetal - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Alcohol - Primary alcohol - Organic oxygen compound - Organic oxide - 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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