Compound Identification
SMILES
O[C@@H]1[C@@H](O)C(OC2=CNC3=C2C(Cl)=C(Br)C=C3)O[C@@H]([C@H]1O)C(O)=O
InChIKey
InChIKey=DHJFFLKPAYHPHU-ZAOAHOKWSA-N
Formula
C14H13BrClNO7
Mass
422.61
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 O-glycosyl compounds Indoles Beta hydroxy acids and derivatives Substituted pyrroles Pyrans Benzenoids Aryl chlorides Aryl bromides Oxanes Heteroaromatic compounds Secondary alcohols Carboxylic acids Polyols Azacyclic compounds Acetals Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
O-glucuronide - 1-o-glucuronide - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Indole or derivatives - Indole - Beta-hydroxy acid - Aryl bromide - Aryl chloride - Benzenoid - Substituted pyrrole - Hydroxy acid - Pyran - Oxane - Monosaccharide - Aryl halide - Pyrrole - Heteroaromatic compound - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Organoheterocyclic compound - Acetal - Polyol - Monocarboxylic acid or derivatives - Alcohol - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organochloride - Organobromide - 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