Compound Identification
SMILES
O[C@@H]1[C@@H](O)[C@H](O[C@@H]2N=C(C3=CC=CC=C3Cl)C3=C(NC2=O)C=CC(Cl)=C3)O[C@@H]([C@H]1O)C(O)=O
InChIKey
InChIKey=IWOJSSFCRQKNKN-ZPZURBKOSA-N
Formula
C21H18Cl2N2O8
Mass
497.28
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
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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 1,4-benzodiazepines O-glycosyl compounds Alpha amino acids and derivatives Beta hydroxy acids and derivatives Chlorobenzenes Pyrans Oxanes Aryl chlorides Secondary carboxylic acid amides Secondary alcohols Ketimines Lactams Propargyl-type 1,3-dipolar organic compounds Acetals Polyols Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
O-glucuronide - 1-o-glucuronide - Hexose monosaccharide - O-glycosyl compound - Benzodiazepine - 1,4-benzodiazepine - Glycosyl compound - Alpha-amino acid or derivatives - Beta-hydroxy acid - Halobenzene - Chlorobenzene - Aryl chloride - Hydroxy acid - Pyran - Monosaccharide - Oxane - Benzenoid - Aryl halide - Monocyclic benzene moiety - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Ketimine - Lactam - Polyol - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Acetal - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organochloride - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organohalogen compound - Carbonyl group - Alcohol - Organic nitrogen compound - Imine - Organopnictogen compound - 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