Compound Identification
SMILES
NC1=C(C#N)C(C2=CC=CC=C2)C(C#N)=C(N1)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIKey
InChIKey=VVUXRUIIVAKMKD-IROVAMBLSA-N
Formula
C19H20N4O5S
Mass
416.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Level 5
Glycosyl compounds
- Level 6 Cyanogenic glycosides
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Level 5
Glycosyl compounds
-
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 Dihydropyridines Benzene and substituted derivatives Oxanes Monothioacetals 1,2-diols Ketene acetals Secondary alcohols Nitriles Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cyanogenic glycoside - Hexose monosaccharide - S-glycosyl compound - Dihydropyridine - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Monosaccharide - Oxane - Monothioacetal - 1,2-diol - Ketene acetal or derivatives - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Polyol - Carbonitrile - Nitrile - Amine - Alcohol - Primary alcohol - Cyanide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - 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