Structure Information
Structure

Compound Identification

SMILES

[H][C@@]1(CO)O[C@]([H])(OC2=C(O)C=C(C=C2)C2=C(O[C@@]3([H])O[C@@]([H])(COC(=C)CC(O)=C)[C@]([H])(O)[C@@]([H])(O[C@@]4([H])O[C@@]([H])(CO)[C@]([H])(O)[C@@]([H])(O)[C@]4([H])O)[C@]3([H])O)C=C3C(O)=CC(O)=CC3=[O+]2)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O

InChIKey

InChIKey=QYFIWOPASKQLKB-HWFBMGERSA-O

Formula

C38H47O22

Mass

855.771

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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-4p-o-glycoside - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - Hydroxyflavonoid - 7-hydroxyflavonoid - 5-hydroxyflavonoid - 3'-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Disaccharide - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Oxane - Heteroaromatic compound - Secondary alcohol - Enol - Organoheterocyclic compound - Oxacycle - Acetal - Polyol - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organooxygen compound - 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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