Compound Identification
SMILES
[NH3+]C1CCCCC1.O[C@H]1C(O)[C@H](OC2=CNC3=C2C=C(Br)C=C3)OC([C@H]1O)C([O-])=O
InChIKey
InChIKey=LKAVZDZYVBJWCJ-OBDHENPMSA-N
Formula
C20H27BrN2O7
Mass
487.347
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 Cyclohexylamines Beta hydroxy acids and derivatives Substituted pyrroles Pyrans Oxanes Aryl bromides Benzenoids Heteroaromatic compounds Secondary alcohols Carboxylic acid salts Acetals Carboxylic acids Oxacyclic compounds Polyols Azacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides Organobromides Organic cations
Molecular Framework
Not available
Substituents
O-glucuronide - 1-o-glucuronide - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Indole or derivatives - Indole - Beta-hydroxy acid - Cyclohexylamine - Hydroxy acid - Benzenoid - Aryl halide - Substituted pyrrole - Aryl bromide - Pyran - Monosaccharide - Oxane - Pyrrole - Heteroaromatic compound - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Polyol - Acetal - Monocarboxylic acid or derivatives - Carboxylic acid - Oxacycle - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organobromide - Alcohol - Hydrocarbon derivative - Primary aliphatic amine - Primary amine - Organonitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Amine - Organic cation - 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