Structure Information
Structure

Compound Identification

SMILES

OCC1O[C@@H](OC2=CC(O)=CC3=[O+]C(=C(O[C@@H]4OC(COC(=O)CC(O)=O)[C@@H](O)[C@H](O)C4O)C=C23)C2=CC(O)=C(O)C(O)=C2)C(O)[C@@H](O)[C@@H]1O

InChIKey

InChIKey=KKMPMQKPBOCHRG-WIVGTFJQSA-O

Formula

C30H33O20

Mass

713.573

Export to:

JSON SDF CSV

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-5-O-glycosides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Anthocyanidin-5-o-glycoside - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - Hydroxyflavonoid - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Glycosyl compound - O-glycosyl compound - 1-benzopyran - Benzopyran - Pyrogallol derivative - Benzenetriol - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Oxane - Monosaccharide - Monocyclic benzene moiety - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Polyol - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Primary alcohol - Alcohol - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as anthocyanidin-5-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C5-position.

External Descriptors

Previous Back Next