Compound Identification
SMILES
O[C@H]1[C@H](O)[C@](O)(Br)[C@](Cl)(OC2=CC3=CC=CC=C3N2)O[C@@H]1C(O)=O
InChIKey
InChIKey=RJHXLGGYFLWTQT-GJKBLCTNSA-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
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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
Indoles Beta hydroxy acids and derivatives Substituted pyrroles Pyrans Oxanes Benzenoids Monosaccharides Heteroaromatic compounds Secondary alcohols Bromohydrins Chlorohydrins Polyols Oxacyclic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organobromides Organochlorides Organonitrogen compounds Organopnictogen compounds Alkyl chlorides Alkyl bromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
O-glucuronide - 1-o-glucuronide - Indole or derivatives - Indole - Beta-hydroxy acid - Oxane - Monosaccharide - Pyran - Substituted pyrrole - Benzenoid - Hydroxy acid - Heteroaromatic compound - Pyrrole - Secondary alcohol - Chlorohydrin - Bromohydrin - Halohydrin - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Polyol - Alkyl halide - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Alkyl bromide - Alcohol - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - 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