Compound Identification
SMILES
CC1(CO)C(C=C(Br)Br)C1C(=O)OC1OC(C(O)C(O)C1O)C(O)=O
InChIKey
InChIKey=NYDTYNUXLSCRFN-UHFFFAOYSA-N
Formula
C14H18Br2O9
Mass
490.097
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
Hexoses Beta hydroxy acids and derivatives Pyrans Cyclopropanecarboxylic acids and derivatives Oxanes Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid esters Ketene acetals Acetals Vinyl bromides Bromoalkenes Carboxylic acids Polyols Oxacyclic compounds Primary alcohols Carbonyl compounds Organobromides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
1-o-glucuronide - O-glucuronide - Hexose monosaccharide - Beta-hydroxy acid - Cyclopropanecarboxylic acid or derivatives - Dicarboxylic acid or derivatives - Hydroxy acid - Monosaccharide - Oxane - Pyran - Carboxylic acid ester - Ketene acetal or derivatives - Secondary alcohol - Polyol - Carboxylic acid derivative - Acetal - Carboxylic acid - Oxacycle - Bromoalkene - Haloalkene - Organoheterocyclic compound - Vinyl bromide - Vinyl halide - Primary alcohol - Alcohol - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organobromide - Aliphatic 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