Compound Identification
SMILES
CC1OC(OC2=CC=C(CN=C(S)OC#N)C=C2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIKey
InChIKey=BKDGTVDSHNHIIF-UHFFFAOYSA-N
Formula
C21H24N2O9S
Mass
480.49
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Level 5
Glycosyl compounds
- Level 6 Phenolic 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
Phenolic glycosides
Alternative Parents
Hexoses O-glycosyl compounds Tricarboxylic acids and derivatives Phenoxy compounds Phenol ethers Oxanes Carboxylic acid esters Acetals Carboximidic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Cyanates Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organosulfur compounds Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenolic glycoside - Hexose monosaccharide - O-glycosyl compound - Tricarboxylic acid or derivatives - Phenoxy compound - Phenol ether - Monocyclic benzene moiety - Monosaccharide - Oxane - Benzenoid - Carboxylic acid ester - Organic 1,3-dipolar compound - Organoheterocyclic compound - Oxacycle - Organic cyanate - Acetal - Carboxylic acid derivative - Carboximidic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.
External Descriptors
Not available