Structure Information
Structure

Compound Identification

SMILES

NC1=C(C#N)C(C2=CC=C(Br)C=C2)C(C#N)=C(N1)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChIKey

InChIKey=URDIRTNJXKRZOI-VICSCFSLSA-N

Formula

C19H19BrN4O5S

Mass

495.35

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbohydrates and carbohydrate conjugates

Intermediate Tree Nodes

Glycosyl compounds

Direct Parent

Cyanogenic glycosides

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Cyanogenic glycoside - Hexose monosaccharide - S-glycosyl compound - Bromobenzene - Dihydropyridine - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydropyridine - Monosaccharide - Oxane - Monothioacetal - 1,2-diol - Secondary alcohol - Ketene acetal or derivatives - Nitrile - Carbonitrile - Oxacycle - Polyol - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organonitrogen compound - Alcohol - Primary alcohol - Amine - Organosulfur compound - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Organohalogen compound - Organobromide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as cyanogenic glycosides. These are glycosides in which the aglycone moiety contains a cyanide group.

External Descriptors

Not available

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