Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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