Compound Identification
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C(=O)CCC(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
InChIKey
InChIKey=RKRJSTNMDMHFKU-KSXIZUIISA-N
Formula
C17H20O11S
Mass
432.4
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
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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
Alkyl-phenylketones Butyrophenones Benzenesulfonyl compounds Aryl alkyl ketones Benzoyl derivatives Gamma-keto acids and derivatives Beta hydroxy acids and derivatives Fatty acid esters Dicarboxylic acids and derivatives Oxanes Pyrans Monosaccharides Sulfones Carboxylic acid esters Secondary alcohols Oxacyclic compounds Carboxylic acids Acetals Polyols Hydrocarbon derivatives Aldehydes Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-o-glucuronide - O-glucuronide - Alkyl-phenylketone - Butyrophenone - Phenylketone - Benzenesulfonyl group - Benzoyl - Gamma-keto acid - Aryl alkyl ketone - Aryl ketone - Beta-hydroxy acid - Fatty acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Hydroxy acid - Keto acid - Monosaccharide - Benzenoid - Oxane - Pyran - Sulfone - Sulfonyl - Ketone - Secondary alcohol - Carboxylic acid ester - Acetal - Polyol - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organic oxide - Carbonyl group - Aldehyde - Organosulfur compound - 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