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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
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Level 5
Glycosyl compounds
- Level 6 Cyanogenic glycosides
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Level 5
Glycosyl compounds
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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
Cinnamic acid esters Hexoses Thioglycosides Dihydropyridinecarboxylic acids and derivatives P-quinomethanes Benzene and substituted derivatives Oxanes Vinylogous amides Enoate esters Monothioacetals 1,2-diols Ketene acetals Secondary alcohols Monocarboxylic acids and derivatives Azacyclic compounds Sulfenyl compounds Nitriles Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Organic oxides
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