Structure Information
Structure

Compound Identification

SMILES

O[C@H](CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O)C(O)=O

InChIKey

InChIKey=XISWFINDKWMOOA-AWKPNKRMSA-O

Formula

C25H25O16

Mass

581.458

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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 - Saccharolipid - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Anthocyanidin - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Benzenetriol - Pyrogallol derivative - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acid ester - 1-hydroxy-4-unsubstituted benzenoid - Beta-hydroxy acid - Oxane - Alpha-hydroxy acid - Benzenoid - Monosaccharide - Hydroxy acid - Fatty acyl - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Polyol - Acetal - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Alcohol - Carbonyl group - 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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