Compound Identification
SMILES
O[C@H]1[C@H](O)[C@@H](OC(=O)NCCC2=CN(C3=CC=CC=C23)S(=O)(=O)C2=C(Cl)N=C3SC=CN23)O[C@H]([C@@H]1O)C(O)=O
InChIKey
InChIKey=LRSFBSBUEGEYOX-SGWZHLPASA-N
Formula
C22H21ClN4O10S2
Mass
601.0
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
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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
Hexoses 3-alkylindoles Beta hydroxy acids and derivatives Aryl chlorides Substituted pyrroles Benzenoids Pyrans Oxanes N-substituted imidazoles Thiazoles Sulfonyls Carbamate esters Heteroaromatic compounds Organosulfonic acids and derivatives Secondary alcohols Monocarboxylic acids and derivatives Oxacyclic compounds Azacyclic compounds Carboxylic acids Acetals Polyols Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-o-glucuronide - O-glucuronide - Hexose monosaccharide - 3-alkylindole - Indole - Indole or derivatives - Beta-hydroxy acid - Aryl chloride - Aryl halide - Hydroxy acid - Monosaccharide - Benzenoid - N-substituted imidazole - Oxane - Pyran - Substituted pyrrole - Azole - Heteroaromatic compound - Imidazole - Carbamic acid ester - Thiazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Secondary alcohol - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Oxacycle - Polyol - Carboxylic acid - Organopnictogen compound - Hydrocarbon derivative - Alcohol - Organohalogen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Organic oxide - Carbonyl group - Organic nitrogen 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