Compound Identification
SMILES
CCC1=C(C(N)=NC(N)=N1)C1=CC=C(Cl)C=C1.NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=N1
InChIKey
InChIKey=DASMOKCJSAAMGA-UHFFFAOYSA-N
Formula
C28H31ClN8O9S
Mass
691.11
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Level 5
Sugar acids and derivatives
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Level 6
Glucuronic acid derivatives
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Level 7
Glucuronides
- Level 8 O-glucuronides
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Level 7
Glucuronides
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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 Aminobenzenesulfonamides O-glycosyl compounds Benzenesulfonyl compounds Aniline and substituted anilines Aminopyrimidines and derivatives Beta hydroxy acids and derivatives Chlorobenzenes Pyrans Aryl chlorides Oxanes Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Secondary alcohols Amino acids Acetals Oxacyclic compounds Carboxylic acids Polyols Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Primary amines Organopnictogen compounds Organic oxides Organochlorides
Molecular Framework
Not available
Substituents
1-o-glucuronide - O-glucuronide - Hexose monosaccharide - Aminobenzenesulfonamide - O-glycosyl compound - Glycosyl compound - Benzenesulfonamide - Benzenesulfonyl group - Aniline or substituted anilines - Aminopyrimidine - Halobenzene - Chlorobenzene - Beta-hydroxy acid - Monosaccharide - Aryl chloride - Hydroxy acid - Aryl halide - Monocyclic benzene moiety - Oxane - Benzenoid - Pyran - Organosulfonic acid amide - Pyrimidine - Aminosulfonyl compound - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Amino acid - Secondary alcohol - Amino acid or derivatives - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Polyol - Monocarboxylic acid or derivatives - Carbonyl group - Primary amine - Organic nitrogen compound - Amine - Alcohol - Organopnictogen compound - Organic oxide - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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