Compound Identification
SMILES
[K+].CC(=O)C1=C(C2=CC=C(Cl)C=C2)C(=NN(CCO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)C1=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=QNFXUWPXMXXSEX-RDUMRAHYSA-M
Formula
C26H23Cl2KN2O9
Mass
617.47
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
-
Level 7
Glucuronides
- Level 8 O-glucuronides
-
Level 7
Glucuronides
-
Level 6
Glucuronic acid derivatives
-
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
Phenylpyridazines Hexoses O-glycosyl compounds Aryl alkyl ketones Pyridazinones Beta hydroxy acids and derivatives Chlorobenzenes Pyrans Oxanes Aryl chlorides Vinylogous amides Heteroaromatic compounds Secondary alcohols Carboxylic acid salts Lactams Acetals Polyols Oxacyclic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic metal halides Aldehydes Organochlorides Organic zwitterions Organic potassium salts Hydrocarbon derivatives Organic oxides Organopnictogen compounds Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-glucuronide - 1-o-glucuronide - Hexose monosaccharide - Phenylpyridazine - Glycosyl compound - O-glycosyl compound - Aryl ketone - Aryl alkyl ketone - Pyridazinone - Chlorobenzene - Halobenzene - Beta-hydroxy acid - Pyran - Hydroxy acid - Benzenoid - Oxane - Aryl halide - Pyridazine - Monocyclic benzene moiety - Aryl chloride - Monosaccharide - Vinylogous amide - Heteroaromatic compound - Ketone - Lactam - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Organoheterocyclic compound - Organic alkali metal salt - Azacycle - Monocarboxylic acid or derivatives - Organic metal halide - Oxacycle - Acetal - Carboxylic acid - Polyol - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organic zwitterion - Organic salt - Carbonyl group - Organic potassium salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aldehyde - Alcohol - 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