Compound Identification
SMILES
OC[C@H]1O[C@@H](SC2=C(C#N)C(C=C(N2)C2=CC=CC=C2)C2=CC=CS2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=CSFLBHIXNGKKCN-ATZVVWMYSA-N
Formula
C22H22N2O5S2
Mass
458.55
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
-
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 Thiophenes Heteroaromatic compounds Monothioacetals 1,2-diols Ketene acetals Secondary alcohols Azacyclic compounds Sulfenyl compounds Nitriles Oxacyclic compounds Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cyanogenic glycoside - Hexose monosaccharide - S-glycosyl compound - Dihydropyridine - Monocyclic benzene moiety - Hydropyridine - Monosaccharide - Oxane - Benzenoid - Thiophene - Heteroaromatic compound - Monothioacetal - Ketene acetal or derivatives - Secondary alcohol - 1,2-diol - Nitrile - Carbonitrile - Azacycle - Oxacycle - Sulfenyl compound - Organoheterocyclic compound - Polyol - Organosulfur compound - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Primary alcohol - 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