Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(NC(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C#N)\C1=C1\C=CC(=O)C(OC)=C1)C1=CC=CC=C1

InChIKey

InChIKey=KBNOKECSMSABJN-AEPLEBMZSA-N

Formula

C28H28N2O9S

Mass

568.6

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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

Aromatic heteromonocyclic compounds

Substituents

Cyanogenic glycoside - Cinnamic acid or derivatives - Hexose monosaccharide - Cinnamic acid ester - S-glycosyl compound - Dihydropyridinecarboxylic acid derivative - P-quinomethane - Quinomethane - Dihydropyridine - Monocyclic benzene moiety - Hydropyridine - Oxane - Benzenoid - Monosaccharide - Vinylogous amide - Monothioacetal - Enoate ester - Alpha,beta-unsaturated carboxylic ester - 1,2-diol - Carboxylic acid ester - Ketene acetal or derivatives - Ketone - Cyclic ketone - Secondary alcohol - Carbonitrile - Sulfenyl compound - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Nitrile - Organoheterocyclic compound - Azacycle - Oxacycle - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Alcohol - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Primary 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

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