Compound Identification
SMILES
COc1ncc(OC2OC(C(O)C(O)C2O)C(O)=O)c2nc(NS(=O)(=O)c3c(OCC(F)F)cccc3C(F)(F)F)nn12
InChIKey
InChIKey=SCWFBMDINIKASL-UHFFFAOYSA-N
Formula
C21H20F5N5O11S
Mass
645.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Level 5
Sugar acids and derivatives
-
Level 6
Glucuronic acid derivatives
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Level 7
Glucuronides
- Level 8 O-glucuronides
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Level 7
Glucuronides
-
Level 6
Glucuronic acid derivatives
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Level 5
Sugar acids and derivatives
-
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
Sugar acids and derivatives - Glucuronic acid derivatives - Glucuronides
Direct Parent
O-glucuronides
Alternative Parents
Hexoses O-glycosyl compounds Trifluoromethylbenzenes Benzenesulfonamides Triazolopyrimidines Benzenesulfonyl compounds Phenol ethers Phenoxy compounds Alkyl aryl ethers Beta hydroxy acids and derivatives Oxanes Organosulfonamides Pyrimidines and pyrimidine derivatives Pyrans Aminosulfonyl compounds Triazoles Heteroaromatic compounds Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Acetals Oxacyclic compounds Azacyclic compounds Polyols Hydrocarbon derivatives Organopnictogen compounds Alkyl fluorides Carbonyl compounds Organonitrogen compounds Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
O-glucuronide - 1-o-glucuronide - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Trifluoromethylbenzene - Benzenesulfonamide - Triazolopyrimidine - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Alkyl aryl ether - Beta-hydroxy acid - Hydroxy acid - Monosaccharide - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Oxane - Organosulfonic acid amide - Pyran - Azole - Heteroaromatic compound - Aminosulfonyl compound - 1,2,4-triazole - Triazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary alcohol - Polyol - Acetal - Carboxylic acid derivative - Carboxylic acid - Ether - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organopnictogen compound - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Organosulfur compound - Organonitrogen compound - Organofluoride - Organic oxide - Organic nitrogen compound - Alkyl fluoride - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond.
External Descriptors
Not available