Compound Identification
SMILES
OC[C@H]1O[C@@H](O\C(C#N)=C(/CC(O)=O)\C=C/C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=LABCALMTQNDOAI-PKNBYVPASA-N
Formula
C14H17NO10
Mass
359.287
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
Fatty acyl glycosides of mono- and disaccharides Hexoses O-glycosyl compounds Medium-chain fatty acids Amino fatty acids Branched fatty acids Heterocyclic fatty acids Hydroxy fatty acids Unsaturated fatty acids Dicarboxylic acids and derivatives Oxanes Secondary alcohols Oxacyclic compounds Polyols Acetals Carboxylic acids Nitriles Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Cyanogenic glycoside - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Hexose monosaccharide - O-glycosyl compound - Medium-chain fatty acid - Amino fatty acid - Branched fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - Fatty acid - Fatty acyl - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Oxane - Monosaccharide - Secondary alcohol - Organoheterocyclic compound - Acetal - Carboxylic acid derivative - Carboxylic acid - Polyol - Oxacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Primary alcohol - Organopnictogen compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Aliphatic 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
CHEBI:9717 :
cyanogenic glycoside
KEGG (C08342) :
Cyanogenic glucosides derived from thyrosine