Compound Identification
SMILES
COC1=CC(=O)N[C@@H](O)[C@@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C#N
InChIKey
InChIKey=WUVMCCRKWLRPJP-OKZVCGLCSA-N
Formula
C13H18N2O9
Mass
346.292
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 O-glycosyl compounds Oxanes Hydropyridines Vinylogous esters Secondary alcohols Secondary carboxylic acid amides Lactams Alkanolamines Azacyclic compounds Polyols Oxacyclic compounds Nitriles Acetals Carbonyl compounds Organopnictogen compounds Primary alcohols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Cyanogenic glycoside - Hexose monosaccharide - O-glycosyl compound - Hydropyridine - Monosaccharide - Oxane - Vinylogous ester - Carboxamide group - Lactam - Secondary carboxylic acid amide - Secondary alcohol - Acetal - Alkanolamine - Carboxylic acid derivative - Oxacycle - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Polyol - Organic oxide - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organopnictogen compound - Cyanide - Primary 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
Not available