Compound Identification
SMILES
CNS(=O)(=O)CC1=CC2=C(NC=C2CC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1
InChIKey
InChIKey=LITWLFMIHOIPGH-RNGZQALNSA-N
Formula
C18H22N2O10S
Mass
458.44
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
Indole-3-acetic acid derivatives 3-alkylindoles Beta hydroxy acids and derivatives Substituted pyrroles Benzenoids Dicarboxylic acids and derivatives Pyrans Monosaccharides Organic sulfonamides Organosulfonamides Oxanes Heteroaromatic compounds Aminosulfonyl compounds Secondary alcohols Carboxylic acid esters Acetals Azacyclic compounds Carboxylic acids Oxacyclic compounds Polyols Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-o-glucuronide - O-glucuronide - Indole-3-acetic acid derivative - 3-alkylindole - Indole - Indole or derivatives - Beta-hydroxy acid - Dicarboxylic acid or derivatives - Hydroxy acid - Monosaccharide - Oxane - Pyran - Substituted pyrrole - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Pyrrole - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Polyol - Acetal - Azacycle - Oxacycle - Organoheterocyclic compound - Organosulfur compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Carbonyl group - Organic oxide - Organonitrogen 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