Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C=C(O)C2=CC(O)=C([O+]=C12)C1=CC(O)=C(O)C=C1

InChIKey

InChIKey=PUUAQFPUOLKBHA-WGLXEVCESA-O

Formula

C21H21O11

Mass

449.387

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

Direct Parent

Anthocyanins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Anthocyanidin-8-c-glycoside - Anthocyanin - Flavonoid c-glycoside - Flavonoid-8-c-glycoside - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Hexose monosaccharide - C-glycosyl compound - Glycosyl compound - 1-benzopyran - Benzopyran - Catechol - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Monosaccharide - Oxane - Heteroaromatic compound - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Dialkyl ether - Organooxygen compound - Alcohol - Organic oxygen compound - Primary alcohol - Hydrocarbon derivative - 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

Previous Back Next