Compound Identification
SMILES
COC1=CC=C(C=C1)C1C(C#N)=C(N)NC(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1C#N
InChIKey
InChIKey=VHJQSVKIZCLXTK-BAFUVSPPSA-N
Formula
C20H22N4O6S
Mass
446.48
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
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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 Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Dihydropyridines Oxanes Monothioacetals Ketene acetals 1,2-diols Secondary alcohols Oxacyclic compounds Azacyclic compounds Sulfenyl compounds Nitriles Hydrocarbon derivatives Primary alcohols Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cyanogenic glycoside - Hexose monosaccharide - S-glycosyl compound - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Dihydropyridine - Monosaccharide - Oxane - Hydropyridine - Monocyclic benzene moiety - Benzenoid - Monothioacetal - Secondary alcohol - 1,2-diol - Ketene acetal or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Sulfenyl compound - Polyol - Carbonitrile - Nitrile - Cyanide - Amine - Hydrocarbon derivative - Primary alcohol - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - 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