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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
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Level 5
Glycosyl compounds
- Level 6 Cyanogenic glycosides
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Level 5
Glycosyl compounds
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Subclass
Carbohydrates and carbohydrate conjugates
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
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
Hexoses Thioglycosides Bromobenzenes Dihydropyridines Aryl bromides Oxanes Monothioacetals Ketene acetals Secondary alcohols 1,2-diols Nitriles Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Organobromides Hydrocarbon derivatives Primary alcohols Amines
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