Compound Identification
SMILES
CCC1=CC(C2=CC=CO2)C(C#N)=C(N1)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
InChIKey=XHDCLTORQZCBNH-SFWNUVSYSA-N
Formula
C18H22N2O6S
Mass
394.44
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 Oxanes Furans Heteroaromatic compounds Monothioacetals Ketene acetals Secondary alcohols 1,2-diols Sulfenyl compounds Azacyclic compounds Nitriles Oxacyclic compounds Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cyanogenic glycoside - Hexose monosaccharide - S-glycosyl compound - Dihydropyridine - Hydropyridine - Monosaccharide - Oxane - Heteroaromatic compound - Furan - Monothioacetal - 1,2-diol - Ketene acetal or derivatives - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Polyol - Carbonitrile - Nitrile - Cyanide - Primary alcohol - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - 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