Compound Identification
SMILES
CC(O)C(=O)[C@H]1O[C@@H](SCC#N)[C@@](O)(C(C)=O)[C@](O)(C(C)=O)[C@]1(O)C(C)=O
InChIKey
InChIKey=RUFMKIKBWYMSFP-SOGAZZSNSA-N
Formula
C16H21NO9S
Mass
403.4
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
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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
Thioglycosides Iridoids and derivatives Monocyclic monoterpenoids Acyloins Oxanes Monosaccharides Tertiary alcohols Alpha-hydroxy ketones Monothioacetals 1,2-diols Secondary alcohols Oxacyclic compounds Sulfenyl compounds Nitriles Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Cyanogenic glycoside - Secoiridoid-skeleton - S-glycosyl compound - Monocyclic monoterpenoid - Monoterpenoid - Acyloin - Monosaccharide - Oxane - Alpha-hydroxy ketone - Tertiary alcohol - Monothioacetal - 1,2-diol - Ketone - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Polyol - Carbonitrile - Nitrile - Organic oxide - Cyanide - Organic nitrogen compound - Alcohol - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - 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